(1E,3R,5S,6E)-1,7-diphenylhepta-1,6-diene-3,5-diol

C19H20O2 — CID 122402908

IUPAC(1E,3R,5S,6E)-1,7-diphenylhepta-1,6-diene-3,5-diol
SMILESO[C@H](/C=C/c1ccccc1)C[C@@H](O)/C=C/c1ccccc1
InChIInChI=1S/C19H20O2/c20-18(13-11-16-7-3-1-4-8-16)15-19(21)14-12-17-9-5-2-6-10-17/h1-14,18-21H,15H2/b13-11+,14-12+/t18-,19+
InChIKeyADTKEJDQRVBCJP-FMJVWVELSA-N
MW280.37 g/mol
LogP3.53
Rot. Bonds6

About (1E,3R,5S,6E)-1,7-diphenylhepta-1,6-diene-3,5-diol

(1E,3R,5S,6E)-1,7-diphenylhepta-1,6-diene-3,5-diol (PubChem CID 122402908) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is (1E,3R,5S,6E)-1,7-diphenylhepta-1,6-diene-3,5-diol.

Molecular Properties

Compound Name(1E,3R,5S,6E)-1,7-diphenylhepta-1,6-diene-3,5-diol
PubChem CID122402908
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name(1E,3R,5S,6E)-1,7-diphenylhepta-1,6-diene-3,5-diol
SMILESO[C@H](/C=C/c1ccccc1)C[C@@H](O)/C=C/c1ccccc1
InChIInChI=1S/C19H20O2/c20-18(13-11-16-7-3-1-4-8-16)15-19(21)14-12-17-9-5-2-6-10-17/h1-14,18-21H,15H2/b13-11+,14-12+/t18-,19+
InChIKeyADTKEJDQRVBCJP-FMJVWVELSA-N
XLogP3.53
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1E,3R,5S,6E)-1,7-diphenylhepta-1,6-diene-3,5-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E,3S)-1-phenylpent-1-en-3-ol
CID 10654561
1-amino-4-phenylbut-3-en-2-ol
CID 57176606
(E,3S)-3-hydroxy-5-phenylpent-4-enenitrile
CID 11052128
3-phenylprop-2-ene-1,1-diol
CID 54432533
(E,3R)-1-phenylhex-1-en-5-yn-3-ol
CID 11041183
(2Z,5R,6E)-7-phenylhepta-2,6-diene-1,5-diol
CID 71601870
methyl (3R,5S)-3,5-dihydroxy-7-phenylhept-6-enoate
CID 54384932
(Z,2R)-4-phenylbut-3-en-2-ol
CID 11457765
(2Z,5S,6E)-5-hydroxy-7-phenylhepta-2,6-dienoic acid
CID 162860051
(E,2S)-1,1,1-tribromo-4-phenylbut-3-en-2-ol
CID 129409004
(E)-2-hydroxy-N,N-dimethyl-4-phenylbut-3-ene-1-sulfonamide
CID 15212439
(E,2R,3R,4S)-6-phenylhex-5-ene-1,2,3,4-tetrol
CID 71511914

Frequently Asked Questions

What is the IUPAC name of (1E,3R,5S,6E)-1,7-diphenylhepta-1,6-diene-3,5-diol?
The IUPAC name of (1E,3R,5S,6E)-1,7-diphenylhepta-1,6-diene-3,5-diol (CID 122402908) is (1E,3R,5S,6E)-1,7-diphenylhepta-1,6-diene-3,5-diol.
What is the SMILES notation for (1E,3R,5S,6E)-1,7-diphenylhepta-1,6-diene-3,5-diol?
The canonical SMILES for (1E,3R,5S,6E)-1,7-diphenylhepta-1,6-diene-3,5-diol is O[C@H](/C=C/c1ccccc1)C[C@@H](O)/C=C/c1ccccc1.
What is the InChIKey of (1E,3R,5S,6E)-1,7-diphenylhepta-1,6-diene-3,5-diol?
The InChIKey is ADTKEJDQRVBCJP-FMJVWVELSA-N. The full InChI is InChI=1S/C19H20O2/c20-18(13-11-16-7-3-1-4-8-16)15-19(21)14-12-17-9-5-2-6-10-17/h1-14,18-21H,15H2/b13-11+,14-12+/t18-,19+.
What are the key properties of (1E,3R,5S,6E)-1,7-diphenylhepta-1,6-diene-3,5-diol?
(1E,3R,5S,6E)-1,7-diphenylhepta-1,6-diene-3,5-diol has a molecular weight of 280.37 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3R,5S,6E)-1,7-diphenylhepta-1,6-diene-3,5-diol is sourced from PubChem (CID 122402908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).