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

C19H20O — CID 44560847

IUPAC(3R,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-/m0/s1
InChIKeyOVURIZIJDDTXJS-MPDYCGONSA-N
MW264.37 g/mol
LogP4.25
Rot. Bonds6

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

(3R,4E,6E)-1,7-diphenylhepta-4,6-dien-3-ol (PubChem CID 44560847) has the molecular formula C19H20O and a molecular weight of 264.37 g/mol. Its IUPAC name is (3R,4E,6E)-1,7-diphenylhepta-4,6-dien-3-ol.

Molecular Properties

Compound Name(3R,4E,6E)-1,7-diphenylhepta-4,6-dien-3-ol
PubChem CID44560847
Molecular FormulaC19H20O
Molecular Weight264.37 g/mol
Exact Mass264.15
IUPAC Name(3R,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-/m0/s1
InChIKeyOVURIZIJDDTXJS-MPDYCGONSA-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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Frequently Asked Questions

What is the IUPAC name of (3R,4E,6E)-1,7-diphenylhepta-4,6-dien-3-ol?
The IUPAC name of (3R,4E,6E)-1,7-diphenylhepta-4,6-dien-3-ol (CID 44560847) is (3R,4E,6E)-1,7-diphenylhepta-4,6-dien-3-ol.
What is the SMILES notation for (3R,4E,6E)-1,7-diphenylhepta-4,6-dien-3-ol?
The canonical SMILES for (3R,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 (3R,4E,6E)-1,7-diphenylhepta-4,6-dien-3-ol?
The InChIKey is OVURIZIJDDTXJS-MPDYCGONSA-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-/m0/s1.
What are the key properties of (3R,4E,6E)-1,7-diphenylhepta-4,6-dien-3-ol?
(3R,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 (3R,4E,6E)-1,7-diphenylhepta-4,6-dien-3-ol is sourced from PubChem (CID 44560847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).