4-[(2R)-7-methoxy-4-oxo-2,3-dihydrochromen-2-yl]benzoic acid

C17H14O5 — CID 93179406

IUPAC4-[(2R)-7-methoxy-4-oxo-2,3-dihydrochromen-2-yl]benzoic acid
SMILESCOc1ccc2c(c1)O[C@@H](c1ccc(C(=O)O)cc1)CC2=O
InChIInChI=1S/C17H14O5/c1-21-12-6-7-13-14(18)9-15(22-16(13)8-12)10-2-4-11(5-3-10)17(19)20/h2-8,15H,9H2,1H3,(H,19,20)/t15-/m1/s1
InChIKeyFRUISQDBHQZCGO-OAHLLOKOSA-N
MW298.29 g/mol
LogP3.10
Rot. Bonds3

About 4-[(2R)-7-methoxy-4-oxo-2,3-dihydrochromen-2-yl]benzoic acid

4-[(2R)-7-methoxy-4-oxo-2,3-dihydrochromen-2-yl]benzoic acid (PubChem CID 93179406) has the molecular formula C17H14O5 and a molecular weight of 298.29 g/mol. Its IUPAC name is 4-[(2R)-7-methoxy-4-oxo-2,3-dihydrochromen-2-yl]benzoic acid.

Molecular Properties

Compound Name4-[(2R)-7-methoxy-4-oxo-2,3-dihydrochromen-2-yl]benzoic acid
PubChem CID93179406
Molecular FormulaC17H14O5
Molecular Weight298.29 g/mol
Exact Mass298.08
IUPAC Name4-[(2R)-7-methoxy-4-oxo-2,3-dihydrochromen-2-yl]benzoic acid
SMILESCOc1ccc2c(c1)O[C@@H](c1ccc(C(=O)O)cc1)CC2=O
InChIInChI=1S/C17H14O5/c1-21-12-6-7-13-14(18)9-15(22-16(13)8-12)10-2-4-11(5-3-10)17(19)20/h2-8,15H,9H2,1H3,(H,19,20)/t15-/m1/s1
InChIKeyFRUISQDBHQZCGO-OAHLLOKOSA-N
XLogP3.10
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(2R)-7-methoxy-4-oxo-2,3-dihydrochromen-2-yl]benzoic acid 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-(7-ethyl-4-oxo-2,3-dihydrochromen-2-yl)benzoic acid
CID 82047567
2-(3,5-dimethylphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 114672605
(2S)-2-(3,5-dihydroxy-4-methoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 16655803
2-(3,5-dihydroxy-4-methoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 73299305
7-fluoro-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 5271543
2-(4-fluoro-3-methylphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 114672406
2-(3-bromophenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 114672505
2-(3-fluoro-5-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 114672632
(2S)-2-(4-fluorophenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 853029
2-(4-methoxyphenyl)-7-(3-methylbut-2-enoxy)-2,3-dihydrochromen-4-one
CID 166627035
methyl 4-[(2R)-7-hydroxy-4-oxo-2,3-dihydrochromen-2-yl]benzoate
CID 121301339
2,2-difluoro-2-[(4-oxo-2-phenyl-2,3-dihydrochromen-7-yl)oxy]acetic acid
CID 159150938

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-7-methoxy-4-oxo-2,3-dihydrochromen-2-yl]benzoic acid?
The IUPAC name of 4-[(2R)-7-methoxy-4-oxo-2,3-dihydrochromen-2-yl]benzoic acid (CID 93179406) is 4-[(2R)-7-methoxy-4-oxo-2,3-dihydrochromen-2-yl]benzoic acid.
What is the SMILES notation for 4-[(2R)-7-methoxy-4-oxo-2,3-dihydrochromen-2-yl]benzoic acid?
The canonical SMILES for 4-[(2R)-7-methoxy-4-oxo-2,3-dihydrochromen-2-yl]benzoic acid is COc1ccc2c(c1)O[C@@H](c1ccc(C(=O)O)cc1)CC2=O.
What is the InChIKey of 4-[(2R)-7-methoxy-4-oxo-2,3-dihydrochromen-2-yl]benzoic acid?
The InChIKey is FRUISQDBHQZCGO-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H14O5/c1-21-12-6-7-13-14(18)9-15(22-16(13)8-12)10-2-4-11(5-3-10)17(19)20/h2-8,15H,9H2,1H3,(H,19,20)/t15-/m1/s1.
What are the key properties of 4-[(2R)-7-methoxy-4-oxo-2,3-dihydrochromen-2-yl]benzoic acid?
4-[(2R)-7-methoxy-4-oxo-2,3-dihydrochromen-2-yl]benzoic acid has a molecular weight of 298.29 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-7-methoxy-4-oxo-2,3-dihydrochromen-2-yl]benzoic acid is sourced from PubChem (CID 93179406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).