BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

4-isopropylbenzyl Alcohol

Graphical representations:

4-isopropylbenzyl alcohol image

Molecular Formula: C10 H14 O

Natural Isotopic Abundance Mass: 150.21756

Mono-Isotopic Molecular Masses:

  • C12N14: 150.1044650715
  • C13N14: 160.1380134495
  • C12N15: 150.1044650715
  • C13N15: 160.1380134495

InCHi String:

Canonical and Isomeric SMILES: CC(C)C1=CC=C(C=C1)CO

PUBCHEM iupac NAME: PUBCHEM iupac SYSTEMATIC NAME
(4-propan-2-ylphenyl)methanol

PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME
(4-isopropylphenyl)methanol

PubChem Substance (SID):   8150578   24901404   10408859
PubChem Compound (CID):   325
KEGG: Compound ID   C06576
CAS Registry IDs:   185532-73-4   536-60-7
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich W293318_ALDRICH   ChemIDplus 000536607   EINECS 208-640-4   DiscoveryGate 325   NMRShiftDB 20055160   DTP/NCI 15672   NIST 1903109630   EPA DSSTox 21626   CambridgeSoft Corporation 2016   LeadScope LS-2865   ZINC ZINC00968247   ChemDB 3969324   Beilstein Handbook Reference 4-06-00-03348   Thomson Pharma 00394981   NIST Chemistry WebBook 1903109630   MMCD cq_03755   MDL MFCD00004663

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.