(4E,6E)-5-hydroxy-1,7-diphenylhepta-4,6-dien-3-one

C19H18O2 — CID 45483921

IUPAC(4E,6E)-5-hydroxy-1,7-diphenylhepta-4,6-dien-3-one
SMILESO=C(/C=C(O)\C=C\c1ccccc1)CCc1ccccc1
InChIInChI=1S/C19H18O2/c20-18(13-11-16-7-3-1-4-8-16)15-19(21)14-12-17-9-5-2-6-10-17/h1-11,13,15,20H,12,14H2/b13-11+,18-15+
InChIKeyMJCANANSGRMBIC-COWYBJPUSA-N
MW278.35 g/mol
LogP4.34
Rot. Bonds6

About (4E,6E)-5-hydroxy-1,7-diphenylhepta-4,6-dien-3-one

(4E,6E)-5-hydroxy-1,7-diphenylhepta-4,6-dien-3-one (PubChem CID 45483921) has the molecular formula C19H18O2 and a molecular weight of 278.35 g/mol. Its IUPAC name is (4E,6E)-5-hydroxy-1,7-diphenylhepta-4,6-dien-3-one.

Molecular Properties

Compound Name(4E,6E)-5-hydroxy-1,7-diphenylhepta-4,6-dien-3-one
PubChem CID45483921
Molecular FormulaC19H18O2
Molecular Weight278.35 g/mol
Exact Mass278.13
IUPAC Name(4E,6E)-5-hydroxy-1,7-diphenylhepta-4,6-dien-3-one
SMILESO=C(/C=C(O)\C=C\c1ccccc1)CCc1ccccc1
InChIInChI=1S/C19H18O2/c20-18(13-11-16-7-3-1-4-8-16)15-19(21)14-12-17-9-5-2-6-10-17/h1-11,13,15,20H,12,14H2/b13-11+,18-15+
InChIKeyMJCANANSGRMBIC-COWYBJPUSA-N
XLogP4.34
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4E,6E)-5-hydroxy-1,7-diphenylhepta-4,6-dien-3-one?
The IUPAC name of (4E,6E)-5-hydroxy-1,7-diphenylhepta-4,6-dien-3-one (CID 45483921) is (4E,6E)-5-hydroxy-1,7-diphenylhepta-4,6-dien-3-one.
What is the SMILES notation for (4E,6E)-5-hydroxy-1,7-diphenylhepta-4,6-dien-3-one?
The canonical SMILES for (4E,6E)-5-hydroxy-1,7-diphenylhepta-4,6-dien-3-one is O=C(/C=C(O)\C=C\c1ccccc1)CCc1ccccc1.
What is the InChIKey of (4E,6E)-5-hydroxy-1,7-diphenylhepta-4,6-dien-3-one?
The InChIKey is MJCANANSGRMBIC-COWYBJPUSA-N. The full InChI is InChI=1S/C19H18O2/c20-18(13-11-16-7-3-1-4-8-16)15-19(21)14-12-17-9-5-2-6-10-17/h1-11,13,15,20H,12,14H2/b13-11+,18-15+.
What are the key properties of (4E,6E)-5-hydroxy-1,7-diphenylhepta-4,6-dien-3-one?
(4E,6E)-5-hydroxy-1,7-diphenylhepta-4,6-dien-3-one has a molecular weight of 278.35 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6E)-5-hydroxy-1,7-diphenylhepta-4,6-dien-3-one is sourced from PubChem (CID 45483921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).