1-(4-methoxyphenyl)-2-methylidene-3-phenylpropane-1,3-dione

C17H14O3 — CID 15785953

IUPAC1-(4-methoxyphenyl)-2-methylidene-3-phenylpropane-1,3-dione
SMILESC=C(C(=O)c1ccccc1)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C17H14O3/c1-12(16(18)13-6-4-3-5-7-13)17(19)14-8-10-15(20-2)11-9-14/h3-11H,1H2,2H3
InChIKeyUPBFUTIGZWBDOU-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.32
Rot. Bonds5

About 1-(4-methoxyphenyl)-2-methylidene-3-phenylpropane-1,3-dione

1-(4-methoxyphenyl)-2-methylidene-3-phenylpropane-1,3-dione (PubChem CID 15785953) has the molecular formula C17H14O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-methylidene-3-phenylpropane-1,3-dione.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-methylidene-3-phenylpropane-1,3-dione
PubChem CID15785953
Molecular FormulaC17H14O3
Molecular Weight266.30 g/mol
Exact Mass266.09
IUPAC Name1-(4-methoxyphenyl)-2-methylidene-3-phenylpropane-1,3-dione
SMILESC=C(C(=O)c1ccccc1)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C17H14O3/c1-12(16(18)13-6-4-3-5-7-13)17(19)14-8-10-15(20-2)11-9-14/h3-11H,1H2,2H3
InChIKeyUPBFUTIGZWBDOU-UHFFFAOYSA-N
XLogP3.32
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze 1-(4-methoxyphenyl)-2-methylidene-3-phenylpropane-1,3-dione 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

[4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-phenylmethanone
CID 134955229
(Z)-1-(4-methoxyphenyl)-2,3-diphenylprop-2-en-1-one
CID 5372226
2-methylidene-1-phenylbutane-1,3-dione
CID 11344281
2-(4-benzoyloxybenzoyl)prop-2-enoic acid
CID 141307412
(E)-1-(4-methoxyphenyl)-2-methylidene-5-phenylpent-4-en-1-one
CID 72722749
(E)-3-(dimethylamino)-2-(4-methoxyphenyl)-1-phenylprop-2-en-1-one
CID 15729872
anisole;methyl 4-methoxybenzoate
CID 158093995
2-(methoxymethyl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 163301307
[[2-(4-methoxyphenyl)-2-oxo-1-phenylethylidene]amino] acetate
CID 72596234
1-[2-(4-methoxyphenyl)phenyl]-2-phenylethane-1,2-dione
CID 70106493
1,2-diphenylethane-1,2-dione;iron
CID 70488368
1-methoxy-4-[phenyl(sulfonyl)methyl]benzene
CID 134894682

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-methylidene-3-phenylpropane-1,3-dione?
The IUPAC name of 1-(4-methoxyphenyl)-2-methylidene-3-phenylpropane-1,3-dione (CID 15785953) is 1-(4-methoxyphenyl)-2-methylidene-3-phenylpropane-1,3-dione.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-methylidene-3-phenylpropane-1,3-dione?
The canonical SMILES for 1-(4-methoxyphenyl)-2-methylidene-3-phenylpropane-1,3-dione is C=C(C(=O)c1ccccc1)C(=O)c1ccc(OC)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-methylidene-3-phenylpropane-1,3-dione?
The InChIKey is UPBFUTIGZWBDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O3/c1-12(16(18)13-6-4-3-5-7-13)17(19)14-8-10-15(20-2)11-9-14/h3-11H,1H2,2H3.
What are the key properties of 1-(4-methoxyphenyl)-2-methylidene-3-phenylpropane-1,3-dione?
1-(4-methoxyphenyl)-2-methylidene-3-phenylpropane-1,3-dione has a molecular weight of 266.30 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-methylidene-3-phenylpropane-1,3-dione is sourced from PubChem (CID 15785953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).