(3S,4E,6E)-1,7-diphenylhepta-4,6-dien-3-ol

C19H20O — CID 5324474

IUPAC(3S,4E,6E)-1,7-diphenylhepta-4,6-dien-3-ol
SMILESO[C@H](/C=C/C=C/c1ccccc1)CCc1ccccc1
InChIInChI=1S/C19H20O/c20-19(16-15-18-11-5-2-6-12-18)14-8-7-13-17-9-3-1-4-10-17/h1-14,19-20H,15-16H2/b13-7+,14-8+/t19-/m1/s1
InChIKeyOVURIZIJDDTXJS-BKYMLAEZSA-N
MW264.37 g/mol
LogP4.25
Rot. Bonds6

About (3S,4E,6E)-1,7-diphenylhepta-4,6-dien-3-ol

(3S,4E,6E)-1,7-diphenylhepta-4,6-dien-3-ol (PubChem CID 5324474) has the molecular formula C19H20O and a molecular weight of 264.37 g/mol. Its IUPAC name is (3S,4E,6E)-1,7-diphenylhepta-4,6-dien-3-ol.

Molecular Properties

Compound Name(3S,4E,6E)-1,7-diphenylhepta-4,6-dien-3-ol
PubChem CID5324474
Molecular FormulaC19H20O
Molecular Weight264.37 g/mol
Exact Mass264.15
IUPAC Name(3S,4E,6E)-1,7-diphenylhepta-4,6-dien-3-ol
SMILESO[C@H](/C=C/C=C/c1ccccc1)CCc1ccccc1
InChIInChI=1S/C19H20O/c20-19(16-15-18-11-5-2-6-12-18)14-8-7-13-17-9-3-1-4-10-17/h1-14,19-20H,15-16H2/b13-7+,14-8+/t19-/m1/s1
InChIKeyOVURIZIJDDTXJS-BKYMLAEZSA-N
XLogP4.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z,3R)-1-phenylhex-4-en-3-ol
CID 129363881
(4E,6E)-3-hydroxy-7-phenylhepta-4,6-dienoic acid
CID 23428026
2-[(Z)-3-hydroxy-5-phenylpent-1-enyl]phenol
CID 11097132
(4E,6E,8E)-1-phenyl-9-tributylstannylnona-4,6,8-trien-3-ol
CID 50993196
[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene;propane-1,2,3-triol
CID 121455480
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
CID 139179602
4-phenylbuta-1,3-dienylbenzene
CID 162273071
(6E,8E,10E,12E)-5,14,15-trihydroxy-17-phenylheptadeca-6,8,10,12-tetraenoic acid
CID 20588555
(2S,3E,5E)-2-hydroxy-6-phenylhexa-3,5-dienoic acid
CID 102074553
(2S,3S,4E,6E)-7-phenyl-1-phenylmethoxyhepta-4,6-diene-2,3-diol
CID 10542988
(E)-1,1,1-trifluoro-5-hydroxy-7-phenylhept-3-en-2-one
CID 10015355
(E)-1-cyclopentyl-5-phenylpent-1-en-3-ol
CID 10263265

Frequently Asked Questions

What is the IUPAC name of (3S,4E,6E)-1,7-diphenylhepta-4,6-dien-3-ol?
The IUPAC name of (3S,4E,6E)-1,7-diphenylhepta-4,6-dien-3-ol (CID 5324474) is (3S,4E,6E)-1,7-diphenylhepta-4,6-dien-3-ol.
What is the SMILES notation for (3S,4E,6E)-1,7-diphenylhepta-4,6-dien-3-ol?
The canonical SMILES for (3S,4E,6E)-1,7-diphenylhepta-4,6-dien-3-ol is O[C@H](/C=C/C=C/c1ccccc1)CCc1ccccc1.
What is the InChIKey of (3S,4E,6E)-1,7-diphenylhepta-4,6-dien-3-ol?
The InChIKey is OVURIZIJDDTXJS-BKYMLAEZSA-N. The full InChI is InChI=1S/C19H20O/c20-19(16-15-18-11-5-2-6-12-18)14-8-7-13-17-9-3-1-4-10-17/h1-14,19-20H,15-16H2/b13-7+,14-8+/t19-/m1/s1.
What are the key properties of (3S,4E,6E)-1,7-diphenylhepta-4,6-dien-3-ol?
(3S,4E,6E)-1,7-diphenylhepta-4,6-dien-3-ol has a molecular weight of 264.37 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4E,6E)-1,7-diphenylhepta-4,6-dien-3-ol is sourced from PubChem (CID 5324474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).