(E)-7-(4-hydroxy-3-methoxyphenyl)-1-phenylhept-4-en-3-one

C20H22O3 — CID 5318278

IUPAC(E)-7-(4-hydroxy-3-methoxyphenyl)-1-phenylhept-4-en-3-one
SMILESCOc1cc(CC/C=C/C(=O)CCc2ccccc2)ccc1O
InChIInChI=1S/C20H22O3/c1-23-20-15-17(12-14-19(20)22)9-5-6-10-18(21)13-11-16-7-3-2-4-8-16/h2-4,6-8,10,12,14-15,22H,5,9,11,13H2,1H3/b10-6+
InChIKeyNOHMOWQGVDSLNY-UXBLZVDNSA-N
MW310.39 g/mol
LogP4.09
Rot. Bonds8

About (E)-7-(4-hydroxy-3-methoxyphenyl)-1-phenylhept-4-en-3-one

(E)-7-(4-hydroxy-3-methoxyphenyl)-1-phenylhept-4-en-3-one (PubChem CID 5318278) has the molecular formula C20H22O3 and a molecular weight of 310.39 g/mol. Its IUPAC name is (E)-7-(4-hydroxy-3-methoxyphenyl)-1-phenylhept-4-en-3-one.

Molecular Properties

Compound Name(E)-7-(4-hydroxy-3-methoxyphenyl)-1-phenylhept-4-en-3-one
PubChem CID5318278
Molecular FormulaC20H22O3
Molecular Weight310.39 g/mol
Exact Mass310.16
IUPAC Name(E)-7-(4-hydroxy-3-methoxyphenyl)-1-phenylhept-4-en-3-one
SMILESCOc1cc(CC/C=C/C(=O)CCc2ccccc2)ccc1O
InChIInChI=1S/C20H22O3/c1-23-20-15-17(12-14-19(20)22)9-5-6-10-18(21)13-11-16-7-3-2-4-8-16/h2-4,6-8,10,12,14-15,22H,5,9,11,13H2,1H3/b10-6+
InChIKeyNOHMOWQGVDSLNY-UXBLZVDNSA-N
XLogP4.09
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-7-(4-hydroxy-3-methoxyphenyl)-1-phenylhept-4-en-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-7-(4-hydroxy-3-methoxyphenyl)-1-phenylhept-4-en-3-one?
The IUPAC name of (E)-7-(4-hydroxy-3-methoxyphenyl)-1-phenylhept-4-en-3-one (CID 5318278) is (E)-7-(4-hydroxy-3-methoxyphenyl)-1-phenylhept-4-en-3-one.
What is the SMILES notation for (E)-7-(4-hydroxy-3-methoxyphenyl)-1-phenylhept-4-en-3-one?
The canonical SMILES for (E)-7-(4-hydroxy-3-methoxyphenyl)-1-phenylhept-4-en-3-one is COc1cc(CC/C=C/C(=O)CCc2ccccc2)ccc1O.
What is the InChIKey of (E)-7-(4-hydroxy-3-methoxyphenyl)-1-phenylhept-4-en-3-one?
The InChIKey is NOHMOWQGVDSLNY-UXBLZVDNSA-N. The full InChI is InChI=1S/C20H22O3/c1-23-20-15-17(12-14-19(20)22)9-5-6-10-18(21)13-11-16-7-3-2-4-8-16/h2-4,6-8,10,12,14-15,22H,5,9,11,13H2,1H3/b10-6+.
What are the key properties of (E)-7-(4-hydroxy-3-methoxyphenyl)-1-phenylhept-4-en-3-one?
(E)-7-(4-hydroxy-3-methoxyphenyl)-1-phenylhept-4-en-3-one has a molecular weight of 310.39 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-(4-hydroxy-3-methoxyphenyl)-1-phenylhept-4-en-3-one is sourced from PubChem (CID 5318278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).