5-methyl-4-oxo-2-phenylchromene-8-carboxylic acid

C17H12O4 — CID 172785985

IUPAC5-methyl-4-oxo-2-phenylchromene-8-carboxylic acid
SMILESCc1ccc(C(=O)O)c2oc(-c3ccccc3)cc(=O)c12
InChIInChI=1S/C17H12O4/c1-10-7-8-12(17(19)20)16-15(10)13(18)9-14(21-16)11-5-3-2-4-6-11/h2-9H,1H3,(H,19,20)
InChIKeyOWZDKFTWDJSNKA-UHFFFAOYSA-N
MW280.28 g/mol
LogP3.47
Rot. Bonds2

About 5-methyl-4-oxo-2-phenylchromene-8-carboxylic acid

5-methyl-4-oxo-2-phenylchromene-8-carboxylic acid (PubChem CID 172785985) has the molecular formula C17H12O4 and a molecular weight of 280.28 g/mol. Its IUPAC name is 5-methyl-4-oxo-2-phenylchromene-8-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-oxo-2-phenylchromene-8-carboxylic acid
PubChem CID172785985
Molecular FormulaC17H12O4
Molecular Weight280.28 g/mol
Exact Mass280.07
IUPAC Name5-methyl-4-oxo-2-phenylchromene-8-carboxylic acid
SMILESCc1ccc(C(=O)O)c2oc(-c3ccccc3)cc(=O)c12
InChIInChI=1S/C17H12O4/c1-10-7-8-12(17(19)20)16-15(10)13(18)9-14(21-16)11-5-3-2-4-6-11/h2-9H,1H3,(H,19,20)
InChIKeyOWZDKFTWDJSNKA-UHFFFAOYSA-N
XLogP3.47
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,6,7,8-tetrafluoro-2-phenylchromen-4-one
CID 91434765
7-acetyl-8-bromo-5-hydroxy-2-phenylchromen-4-one
CID 142673083
2-(5-methoxy-4-oxo-2-phenylchromen-8-yl)acetic acid
CID 50991857
5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one
CID 5281703
5,6,7-trimethoxy-2-phenyl-8-(5,6,7-trimethoxy-4-oxo-2-phenylchromen-8-yl)chromen-4-one
CID 14889330
(5-methyl-4-oxo-2-phenylchromen-7-yl) trifluoromethanesulfonate
CID 23401531
2-(4-chlorophenyl)-4-oxochromene-8-carboxylic acid;hydrochloride
CID 70487550
5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one;hydrochloride
CID 175431329
7-methyl-2-phenylpyrano[4,3-b]pyran-4,5-dione
CID 14202855
5,7-dihydroxy-6-methyl-2-phenylchromen-4-one
CID 11536318
7-hydroxy-8-methoxy-4-oxo-2-phenylchromen-5-olate
CID 86289529
5,7-dihydroxy-6,8-bis(methoxymethyl)-2-phenylchromen-4-one
CID 25141901

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-oxo-2-phenylchromene-8-carboxylic acid?
The IUPAC name of 5-methyl-4-oxo-2-phenylchromene-8-carboxylic acid (CID 172785985) is 5-methyl-4-oxo-2-phenylchromene-8-carboxylic acid.
What is the SMILES notation for 5-methyl-4-oxo-2-phenylchromene-8-carboxylic acid?
The canonical SMILES for 5-methyl-4-oxo-2-phenylchromene-8-carboxylic acid is Cc1ccc(C(=O)O)c2oc(-c3ccccc3)cc(=O)c12.
What is the InChIKey of 5-methyl-4-oxo-2-phenylchromene-8-carboxylic acid?
The InChIKey is OWZDKFTWDJSNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O4/c1-10-7-8-12(17(19)20)16-15(10)13(18)9-14(21-16)11-5-3-2-4-6-11/h2-9H,1H3,(H,19,20).
What are the key properties of 5-methyl-4-oxo-2-phenylchromene-8-carboxylic acid?
5-methyl-4-oxo-2-phenylchromene-8-carboxylic acid has a molecular weight of 280.28 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-oxo-2-phenylchromene-8-carboxylic acid is sourced from PubChem (CID 172785985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).