4-oxo-2-phenylchromene-3,5-dicarboxylic acid

C17H10O6 — CID 70037924

IUPAC4-oxo-2-phenylchromene-3,5-dicarboxylic acid
SMILESO=C(O)c1c(-c2ccccc2)oc2cccc(C(=O)O)c2c1=O
InChIInChI=1S/C17H10O6/c18-14-12-10(16(19)20)7-4-8-11(12)23-15(13(14)17(21)22)9-5-2-1-3-6-9/h1-8H,(H,19,20)(H,21,22)
InChIKeyVJLFQOBRARFAHR-UHFFFAOYSA-N
MW310.26 g/mol
LogP2.86
Rot. Bonds3

About 4-oxo-2-phenylchromene-3,5-dicarboxylic acid

4-oxo-2-phenylchromene-3,5-dicarboxylic acid (PubChem CID 70037924) has the molecular formula C17H10O6 and a molecular weight of 310.26 g/mol. Its IUPAC name is 4-oxo-2-phenylchromene-3,5-dicarboxylic acid.

Molecular Properties

Compound Name4-oxo-2-phenylchromene-3,5-dicarboxylic acid
PubChem CID70037924
Molecular FormulaC17H10O6
Molecular Weight310.26 g/mol
Exact Mass310.05
IUPAC Name4-oxo-2-phenylchromene-3,5-dicarboxylic acid
SMILESO=C(O)c1c(-c2ccccc2)oc2cccc(C(=O)O)c2c1=O
InChIInChI=1S/C17H10O6/c18-14-12-10(16(19)20)7-4-8-11(12)23-15(13(14)17(21)22)9-5-2-1-3-6-9/h1-8H,(H,19,20)(H,21,22)
InChIKeyVJLFQOBRARFAHR-UHFFFAOYSA-N
XLogP2.86
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.26
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-oxobenzo[c]chromene-7-carboxylic acid
CID 14083219
(5-hydroxy-2-phenyl-4-sulfanylidenechromen-3-yl)-phenylmethanone
CID 175684502
2,5-diacetyl-3-phenylchromen-4-one
CID 67115420
2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid
CID 154212021
5,7-dihydroxy-2-(4-nitrophenyl)-4-oxochromene-3-carboxylic acid
CID 14791390
4-ethyl-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylic acid
CID 134588362
copper;chloroform;bis(4-oxo-2-phenylchromen-3-olate)
CID 139162743
N-(3-hydroxy-4-oxo-2-phenylchromen-5-yl)acetamide
CID 141231274
3-phenylphthalic acid;dihydrobromide
CID 67683459
2-(3-hydroxy-5-methoxy-4-oxo-2-phenylchromen-7-yl)benzoic acid
CID 169002902
5-fluoro-3-iodo-2-phenylchromen-4-one
CID 67067654
3-hydroxy-2-phenylchromen-4-one;iron
CID 161072875

Frequently Asked Questions

What is the IUPAC name of 4-oxo-2-phenylchromene-3,5-dicarboxylic acid?
The IUPAC name of 4-oxo-2-phenylchromene-3,5-dicarboxylic acid (CID 70037924) is 4-oxo-2-phenylchromene-3,5-dicarboxylic acid.
What is the SMILES notation for 4-oxo-2-phenylchromene-3,5-dicarboxylic acid?
The canonical SMILES for 4-oxo-2-phenylchromene-3,5-dicarboxylic acid is O=C(O)c1c(-c2ccccc2)oc2cccc(C(=O)O)c2c1=O.
What is the InChIKey of 4-oxo-2-phenylchromene-3,5-dicarboxylic acid?
The InChIKey is VJLFQOBRARFAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10O6/c18-14-12-10(16(19)20)7-4-8-11(12)23-15(13(14)17(21)22)9-5-2-1-3-6-9/h1-8H,(H,19,20)(H,21,22).
What are the key properties of 4-oxo-2-phenylchromene-3,5-dicarboxylic acid?
4-oxo-2-phenylchromene-3,5-dicarboxylic acid has a molecular weight of 310.26 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-2-phenylchromene-3,5-dicarboxylic acid is sourced from PubChem (CID 70037924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).