(3E)-6-hydroxy-3-[(2-methoxyphenyl)methylidene]chromen-4-one

C17H14O4 — CID 162395287

IUPAC(3E)-6-hydroxy-3-[(2-methoxyphenyl)methylidene]chromen-4-one
SMILESCOc1ccccc1/C=C1\COc2ccc(O)cc2C1=O
InChIInChI=1S/C17H14O4/c1-20-15-5-3-2-4-11(15)8-12-10-21-16-7-6-13(18)9-14(16)17(12)19/h2-9,18H,10H2,1H3/b12-8+
InChIKeyVUCHTCHFDZRWFE-XYOKQWHBSA-N
MW282.30 g/mol
LogP3.06
Rot. Bonds2

About (3E)-6-hydroxy-3-[(2-methoxyphenyl)methylidene]chromen-4-one

(3E)-6-hydroxy-3-[(2-methoxyphenyl)methylidene]chromen-4-one (PubChem CID 162395287) has the molecular formula C17H14O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is (3E)-6-hydroxy-3-[(2-methoxyphenyl)methylidene]chromen-4-one.

Molecular Properties

Compound Name(3E)-6-hydroxy-3-[(2-methoxyphenyl)methylidene]chromen-4-one
PubChem CID162395287
Molecular FormulaC17H14O4
Molecular Weight282.30 g/mol
Exact Mass282.09
IUPAC Name(3E)-6-hydroxy-3-[(2-methoxyphenyl)methylidene]chromen-4-one
SMILESCOc1ccccc1/C=C1\COc2ccc(O)cc2C1=O
InChIInChI=1S/C17H14O4/c1-20-15-5-3-2-4-11(15)8-12-10-21-16-7-6-13(18)9-14(16)17(12)19/h2-9,18H,10H2,1H3/b12-8+
InChIKeyVUCHTCHFDZRWFE-XYOKQWHBSA-N
XLogP3.06
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3E)-6-hydroxy-3-[(2-methoxyphenyl)methylidene]chromen-4-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

(3E)-3-[(2,4-dimethoxyphenyl)methylidene]-6-phenylchromen-4-one
CID 45029088
(3E,5E)-3,5-bis[(2-methoxyphenyl)methylidene]oxan-4-one
CID 121461091
(3E)-6-bromo-3-[(3-hydroxyphenyl)methylidene]chromen-4-one
CID 18149932
(3E)-3-[(3-hydroxy-4-methoxyphenyl)methylidene]-6-methoxychromen-4-one
CID 24662437
(3Z)-3-[(4,5-dimethoxy-2-nitrophenyl)methylidene]chromen-4-one
CID 6214659
(2Z)-2-[(2-methoxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one
CID 6925418
(3E)-3-[[2-(diethylaminomethyl)-3-hydroxyphenyl]methylidene]-6,7-dimethoxychromen-4-one
CID 134144370
methyl 4-[[2-[(Z)-(4-oxochromen-3-ylidene)methyl]phenoxy]methyl]benzoate
CID 2439631
methyl 4-[[2-[(4-oxochromen-3-ylidene)methyl]phenoxy]methyl]benzoate
CID 3898800
(3E)-6-methoxy-3-[(4-methoxyphenyl)methylidene]chromen-4-one
CID 6449188
(3E)-6-bromo-3-[(3-fluoro-4-methoxyphenyl)methylidene]chromen-4-one
CID 31247389
(3E)-6-methoxy-3-(pyridin-2-ylmethylidene)chromen-4-one
CID 67592232

Frequently Asked Questions

What is the IUPAC name of (3E)-6-hydroxy-3-[(2-methoxyphenyl)methylidene]chromen-4-one?
The IUPAC name of (3E)-6-hydroxy-3-[(2-methoxyphenyl)methylidene]chromen-4-one (CID 162395287) is (3E)-6-hydroxy-3-[(2-methoxyphenyl)methylidene]chromen-4-one.
What is the SMILES notation for (3E)-6-hydroxy-3-[(2-methoxyphenyl)methylidene]chromen-4-one?
The canonical SMILES for (3E)-6-hydroxy-3-[(2-methoxyphenyl)methylidene]chromen-4-one is COc1ccccc1/C=C1\COc2ccc(O)cc2C1=O.
What is the InChIKey of (3E)-6-hydroxy-3-[(2-methoxyphenyl)methylidene]chromen-4-one?
The InChIKey is VUCHTCHFDZRWFE-XYOKQWHBSA-N. The full InChI is InChI=1S/C17H14O4/c1-20-15-5-3-2-4-11(15)8-12-10-21-16-7-6-13(18)9-14(16)17(12)19/h2-9,18H,10H2,1H3/b12-8+.
What are the key properties of (3E)-6-hydroxy-3-[(2-methoxyphenyl)methylidene]chromen-4-one?
(3E)-6-hydroxy-3-[(2-methoxyphenyl)methylidene]chromen-4-one has a molecular weight of 282.30 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-6-hydroxy-3-[(2-methoxyphenyl)methylidene]chromen-4-one is sourced from PubChem (CID 162395287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).