(E,1R,5R)-4-methyl-1,7-diphenylhept-3-ene-1,5-diol

C20H24O2 — CID 102109612

IUPAC(E,1R,5R)-4-methyl-1,7-diphenylhept-3-ene-1,5-diol
SMILESC/C(=C\C[C@@H](O)c1ccccc1)[C@H](O)CCc1ccccc1
InChIInChI=1S/C20H24O2/c1-16(12-14-20(22)18-10-6-3-7-11-18)19(21)15-13-17-8-4-2-5-9-17/h2-12,19-22H,13-15H2,1H3/b16-12+/t19-,20-/m1/s1
InChIKeyHYSVBJWBJUCBOY-SQHFCFANSA-N
MW296.41 g/mol
LogP4.05
Rot. Bonds7

About (E,1R,5R)-4-methyl-1,7-diphenylhept-3-ene-1,5-diol

(E,1R,5R)-4-methyl-1,7-diphenylhept-3-ene-1,5-diol (PubChem CID 102109612) has the molecular formula C20H24O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is (E,1R,5R)-4-methyl-1,7-diphenylhept-3-ene-1,5-diol.

Molecular Properties

Compound Name(E,1R,5R)-4-methyl-1,7-diphenylhept-3-ene-1,5-diol
PubChem CID102109612
Molecular FormulaC20H24O2
Molecular Weight296.41 g/mol
Exact Mass296.18
IUPAC Name(E,1R,5R)-4-methyl-1,7-diphenylhept-3-ene-1,5-diol
SMILESC/C(=C\C[C@@H](O)c1ccccc1)[C@H](O)CCc1ccccc1
InChIInChI=1S/C20H24O2/c1-16(12-14-20(22)18-10-6-3-7-11-18)19(21)15-13-17-8-4-2-5-9-17/h2-12,19-22H,13-15H2,1H3/b16-12+/t19-,20-/m1/s1
InChIKeyHYSVBJWBJUCBOY-SQHFCFANSA-N
XLogP4.05
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1R)-1,3-diphenylpropan-1-ol
CID 11845542
4-(3-hydroxy-3-phenylpropyl)phenol
CID 54456955
(4S)-4-hydroxy-3-methylidene-6-phenylhexan-2-one
CID 100977771
(3Z)-4,8-dimethyl-1-phenylnona-3,7-dien-1-ol
CID 14027932
(E)-1,5-diphenylpent-3-en-1-ol
CID 11230156
[(E)-4,5-dimethylhex-3-enyl]benzene
CID 14959713
(3R)-4,4-dimethyl-1-phenylpentan-3-ol
CID 53244616
(1R)-1,2-diphenylethanol
CID 1379022
(2R)-2-hydroxy-4-phenylbutanoic acid;(2S)-3-methyl-2-phenylbutan-1-amine
CID 118989081
(3S)-4-methyl-1-phenylhex-5-en-3-ol
CID 177392866
(4S)-4-methyl-1-phenylhex-5-en-3-ol
CID 12938739
methyl (Z)-2-(1-hydroxy-3-phenylpropyl)hept-2-enoate
CID 132595570

Frequently Asked Questions

What is the IUPAC name of (E,1R,5R)-4-methyl-1,7-diphenylhept-3-ene-1,5-diol?
The IUPAC name of (E,1R,5R)-4-methyl-1,7-diphenylhept-3-ene-1,5-diol (CID 102109612) is (E,1R,5R)-4-methyl-1,7-diphenylhept-3-ene-1,5-diol.
What is the SMILES notation for (E,1R,5R)-4-methyl-1,7-diphenylhept-3-ene-1,5-diol?
The canonical SMILES for (E,1R,5R)-4-methyl-1,7-diphenylhept-3-ene-1,5-diol is C/C(=C\C[C@@H](O)c1ccccc1)[C@H](O)CCc1ccccc1.
What is the InChIKey of (E,1R,5R)-4-methyl-1,7-diphenylhept-3-ene-1,5-diol?
The InChIKey is HYSVBJWBJUCBOY-SQHFCFANSA-N. The full InChI is InChI=1S/C20H24O2/c1-16(12-14-20(22)18-10-6-3-7-11-18)19(21)15-13-17-8-4-2-5-9-17/h2-12,19-22H,13-15H2,1H3/b16-12+/t19-,20-/m1/s1.
What are the key properties of (E,1R,5R)-4-methyl-1,7-diphenylhept-3-ene-1,5-diol?
(E,1R,5R)-4-methyl-1,7-diphenylhept-3-ene-1,5-diol has a molecular weight of 296.41 g/mol, XLogP of 4.05, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,1R,5R)-4-methyl-1,7-diphenylhept-3-ene-1,5-diol is sourced from PubChem (CID 102109612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).