(3E,6E)-7-(4-methylphenyl)-1-phenylhepta-3,6-dien-1-ol

C20H22O — CID 162404587

IUPAC(3E,6E)-7-(4-methylphenyl)-1-phenylhepta-3,6-dien-1-ol
SMILESCc1ccc(/C=C/C/C=C/CC(O)c2ccccc2)cc1
InChIInChI=1S/C20H22O/c1-17-13-15-18(16-14-17)9-5-2-3-8-12-20(21)19-10-6-4-7-11-19/h3-11,13-16,20-21H,2,12H2,1H3/b8-3+,9-5+
InChIKeyLYDGNWMVXFJBNX-RWQQVSAMSA-N
MW278.40 g/mol
LogP5.08
Rot. Bonds6

About (3E,6E)-7-(4-methylphenyl)-1-phenylhepta-3,6-dien-1-ol

(3E,6E)-7-(4-methylphenyl)-1-phenylhepta-3,6-dien-1-ol (PubChem CID 162404587) has the molecular formula C20H22O and a molecular weight of 278.40 g/mol. Its IUPAC name is (3E,6E)-7-(4-methylphenyl)-1-phenylhepta-3,6-dien-1-ol.

Molecular Properties

Compound Name(3E,6E)-7-(4-methylphenyl)-1-phenylhepta-3,6-dien-1-ol
PubChem CID162404587
Molecular FormulaC20H22O
Molecular Weight278.40 g/mol
Exact Mass278.17
IUPAC Name(3E,6E)-7-(4-methylphenyl)-1-phenylhepta-3,6-dien-1-ol
SMILESCc1ccc(/C=C/C/C=C/CC(O)c2ccccc2)cc1
InChIInChI=1S/C20H22O/c1-17-13-15-18(16-14-17)9-5-2-3-8-12-20(21)19-10-6-4-7-11-19/h3-11,13-16,20-21H,2,12H2,1H3/b8-3+,9-5+
InChIKeyLYDGNWMVXFJBNX-RWQQVSAMSA-N
XLogP5.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.40
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[(E)-4-hydroxy-4-phenylbut-1-enyl]phenyl]ethanone
CID 11323090
(Z,1S,6R)-1-phenylhept-3-ene-1,6-diol
CID 135057186
[4-[(Z)-1-hydroxy-4-phenylbut-3-enyl]phenyl] 4-methylbenzenesulfonate
CID 102435186
(E)-1-(4-chlorophenyl)-4-phenylbut-3-en-1-ol
CID 10729956
(E)-1,5-diphenylpent-3-en-1-ol
CID 11230156
(E)-4-chloro-1-phenylbut-3-en-1-ol
CID 11240835
(E,1S)-4-fluoro-1-phenylbut-3-en-1-ol
CID 124567652
[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368
(E)-5-(4-methoxyphenyl)-1-phenylpent-4-en-1-ol
CID 22559360
1-(4-methylphenyl)-2-[(E)-2-phenylethenyl]sulfonylethanol
CID 101385731
(Z)-4-ethoxy-1-phenylbut-3-en-1-ol
CID 44889759
1-phenyl-2-[(E)-3-phenylprop-2-enyl]sulfanylethanol
CID 75534520

Frequently Asked Questions

What is the IUPAC name of (3E,6E)-7-(4-methylphenyl)-1-phenylhepta-3,6-dien-1-ol?
The IUPAC name of (3E,6E)-7-(4-methylphenyl)-1-phenylhepta-3,6-dien-1-ol (CID 162404587) is (3E,6E)-7-(4-methylphenyl)-1-phenylhepta-3,6-dien-1-ol.
What is the SMILES notation for (3E,6E)-7-(4-methylphenyl)-1-phenylhepta-3,6-dien-1-ol?
The canonical SMILES for (3E,6E)-7-(4-methylphenyl)-1-phenylhepta-3,6-dien-1-ol is Cc1ccc(/C=C/C/C=C/CC(O)c2ccccc2)cc1.
What is the InChIKey of (3E,6E)-7-(4-methylphenyl)-1-phenylhepta-3,6-dien-1-ol?
The InChIKey is LYDGNWMVXFJBNX-RWQQVSAMSA-N. The full InChI is InChI=1S/C20H22O/c1-17-13-15-18(16-14-17)9-5-2-3-8-12-20(21)19-10-6-4-7-11-19/h3-11,13-16,20-21H,2,12H2,1H3/b8-3+,9-5+.
What are the key properties of (3E,6E)-7-(4-methylphenyl)-1-phenylhepta-3,6-dien-1-ol?
(3E,6E)-7-(4-methylphenyl)-1-phenylhepta-3,6-dien-1-ol has a molecular weight of 278.40 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,6E)-7-(4-methylphenyl)-1-phenylhepta-3,6-dien-1-ol is sourced from PubChem (CID 162404587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).