1-(4-hydroxyphenyl)-3-methoxy-2-phenylprop-2-en-1-one

C16H14O3 — CID 168881643

IUPAC1-(4-hydroxyphenyl)-3-methoxy-2-phenylprop-2-en-1-one
SMILESCOC=C(C(=O)c1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C16H14O3/c1-19-11-15(12-5-3-2-4-6-12)16(18)13-7-9-14(17)10-8-13/h2-11,17H,1H3
InChIKeyVFWGDLLQJLHKMR-UHFFFAOYSA-N
MW254.29 g/mol
LogP3.26
Rot. Bonds4

About 1-(4-hydroxyphenyl)-3-methoxy-2-phenylprop-2-en-1-one

1-(4-hydroxyphenyl)-3-methoxy-2-phenylprop-2-en-1-one (PubChem CID 168881643) has the molecular formula C16H14O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-3-methoxy-2-phenylprop-2-en-1-one.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)-3-methoxy-2-phenylprop-2-en-1-one
PubChem CID168881643
Molecular FormulaC16H14O3
Molecular Weight254.29 g/mol
Exact Mass254.09
IUPAC Name1-(4-hydroxyphenyl)-3-methoxy-2-phenylprop-2-en-1-one
SMILESCOC=C(C(=O)c1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C16H14O3/c1-19-11-15(12-5-3-2-4-6-12)16(18)13-7-9-14(17)10-8-13/h2-11,17H,1H3
InChIKeyVFWGDLLQJLHKMR-UHFFFAOYSA-N
XLogP3.26
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4-hydroxyphenyl)-3-methoxy-2-phenylprop-2-en-1-one with MolForge

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

Launch Full Analysis

Related Compounds

(E)-2,3-bis(4-hydroxyphenyl)-1-phenylprop-2-en-1-one
CID 5378867
[(E)-1-methoxy-3-oxo-3-phenylprop-1-en-2-yl] acetate
CID 132538322
methyl (Z)-2-benzoyl-3-methoxyprop-2-enoate
CID 59834383
(E)-1,2-diphenyl-3-triethylsilyloxyprop-2-en-1-one
CID 132579303
(Z)-1-(4-methoxyphenyl)-2,3-diphenylprop-2-en-1-one
CID 5372226
(4-hydroxyphenyl)-phenylmethanone
CID 139062648
(E)-2-(4-bromophenyl)-1-phenylbut-2-en-1-one
CID 135044201
(E)-1-(4-hydroxyphenyl)-2,3-diphenylbut-2-en-1-one
CID 14547201
(E)-3-(dimethylamino)-2-(4-methoxyphenyl)-1-phenylprop-2-en-1-one
CID 15729872
4-(1,2-dimethoxy-2-phenylethenyl)phenol
CID 91321560
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
(E)-1,2-diphenylpent-2-en-1-one
CID 14568344

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)-3-methoxy-2-phenylprop-2-en-1-one?
The IUPAC name of 1-(4-hydroxyphenyl)-3-methoxy-2-phenylprop-2-en-1-one (CID 168881643) is 1-(4-hydroxyphenyl)-3-methoxy-2-phenylprop-2-en-1-one.
What is the SMILES notation for 1-(4-hydroxyphenyl)-3-methoxy-2-phenylprop-2-en-1-one?
The canonical SMILES for 1-(4-hydroxyphenyl)-3-methoxy-2-phenylprop-2-en-1-one is COC=C(C(=O)c1ccc(O)cc1)c1ccccc1.
What is the InChIKey of 1-(4-hydroxyphenyl)-3-methoxy-2-phenylprop-2-en-1-one?
The InChIKey is VFWGDLLQJLHKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O3/c1-19-11-15(12-5-3-2-4-6-12)16(18)13-7-9-14(17)10-8-13/h2-11,17H,1H3.
What are the key properties of 1-(4-hydroxyphenyl)-3-methoxy-2-phenylprop-2-en-1-one?
1-(4-hydroxyphenyl)-3-methoxy-2-phenylprop-2-en-1-one has a molecular weight of 254.29 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)-3-methoxy-2-phenylprop-2-en-1-one is sourced from PubChem (CID 168881643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).