2-(3-hydroxy-5-methoxy-4-oxo-2-phenylchromen-7-yl)benzoic acid

C23H16O6 — CID 169002902

IUPAC2-(3-hydroxy-5-methoxy-4-oxo-2-phenylchromen-7-yl)benzoic acid
SMILESCOc1cc(-c2ccccc2C(=O)O)cc2oc(-c3ccccc3)c(O)c(=O)c12
InChIInChI=1S/C23H16O6/c1-28-17-11-14(15-9-5-6-10-16(15)23(26)27)12-18-19(17)20(24)21(25)22(29-18)13-7-3-2-4-8-13/h2-12,25H,1H3,(H,26,27)
InChIKeySFPFCWCTYDAPIV-UHFFFAOYSA-N
MW388.38 g/mol
LogP4.54
Rot. Bonds4

About 2-(3-hydroxy-5-methoxy-4-oxo-2-phenylchromen-7-yl)benzoic acid

2-(3-hydroxy-5-methoxy-4-oxo-2-phenylchromen-7-yl)benzoic acid (PubChem CID 169002902) has the molecular formula C23H16O6 and a molecular weight of 388.38 g/mol. Its IUPAC name is 2-(3-hydroxy-5-methoxy-4-oxo-2-phenylchromen-7-yl)benzoic acid.

Molecular Properties

Compound Name2-(3-hydroxy-5-methoxy-4-oxo-2-phenylchromen-7-yl)benzoic acid
PubChem CID169002902
Molecular FormulaC23H16O6
Molecular Weight388.38 g/mol
Exact Mass388.09
IUPAC Name2-(3-hydroxy-5-methoxy-4-oxo-2-phenylchromen-7-yl)benzoic acid
SMILESCOc1cc(-c2ccccc2C(=O)O)cc2oc(-c3ccccc3)c(O)c(=O)c12
InChIInChI=1S/C23H16O6/c1-28-17-11-14(15-9-5-6-10-16(15)23(26)27)12-18-19(17)20(24)21(25)22(29-18)13-7-3-2-4-8-13/h2-12,25H,1H3,(H,26,27)
InChIKeySFPFCWCTYDAPIV-UHFFFAOYSA-N
XLogP4.54
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.38
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-hydroxy-2-phenyl-5,7-bis(trimethylsilyloxy)chromen-4-one
CID 528412
3-hydroxy-6,7,10-trimethoxy-2-phenylbenzo[h]chromen-4-one
CID 118735528
3,5,8-trihydroxy-6,7-dimethoxy-2-phenylchromen-4-one
CID 70253991
3,5,7-trihydroxy-2-phenylchromen-4-one
CID 162642124
2-(3-hydroxy-4-methoxyphenyl)benzoic acid
CID 70462111
3,5,6-trihydroxy-2-(2-methoxyphenyl)chromen-4-one
CID 175305896
3,5,6-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one
CID 141478271
2-(2,3-dimethoxyphenyl)-3-hydroxy-5-methoxychromen-4-one
CID 172643077
3,6,7-trihydroxy-2,5-diphenylchromen-4-one
CID 143758219
3,5,6,7,8-pentahydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
CID 178063472
2-(3,4-dimethoxyphenyl)-3-hydroxy-5,7-dimethylchromen-4-one
CID 1413436
2-[3,5-bis(2-carboxyphenyl)phenyl]benzoic acid
CID 21428532

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-5-methoxy-4-oxo-2-phenylchromen-7-yl)benzoic acid?
The IUPAC name of 2-(3-hydroxy-5-methoxy-4-oxo-2-phenylchromen-7-yl)benzoic acid (CID 169002902) is 2-(3-hydroxy-5-methoxy-4-oxo-2-phenylchromen-7-yl)benzoic acid.
What is the SMILES notation for 2-(3-hydroxy-5-methoxy-4-oxo-2-phenylchromen-7-yl)benzoic acid?
The canonical SMILES for 2-(3-hydroxy-5-methoxy-4-oxo-2-phenylchromen-7-yl)benzoic acid is COc1cc(-c2ccccc2C(=O)O)cc2oc(-c3ccccc3)c(O)c(=O)c12.
What is the InChIKey of 2-(3-hydroxy-5-methoxy-4-oxo-2-phenylchromen-7-yl)benzoic acid?
The InChIKey is SFPFCWCTYDAPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16O6/c1-28-17-11-14(15-9-5-6-10-16(15)23(26)27)12-18-19(17)20(24)21(25)22(29-18)13-7-3-2-4-8-13/h2-12,25H,1H3,(H,26,27).
What are the key properties of 2-(3-hydroxy-5-methoxy-4-oxo-2-phenylchromen-7-yl)benzoic acid?
2-(3-hydroxy-5-methoxy-4-oxo-2-phenylchromen-7-yl)benzoic acid has a molecular weight of 388.38 g/mol, XLogP of 4.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-5-methoxy-4-oxo-2-phenylchromen-7-yl)benzoic acid is sourced from PubChem (CID 169002902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).