6-hydroxy-3-methyl-4-oxo-2-phenylchromene-8-carboxylic acid

C17H12O5 — CID 19972429

IUPAC6-hydroxy-3-methyl-4-oxo-2-phenylchromene-8-carboxylic acid
SMILESCc1c(-c2ccccc2)oc2c(C(=O)O)cc(O)cc2c1=O
InChIInChI=1S/C17H12O5/c1-9-14(19)12-7-11(18)8-13(17(20)21)16(12)22-15(9)10-5-3-2-4-6-10/h2-8,18H,1H3,(H,20,21)
InChIKeyJSNWZIONBZGCQB-UHFFFAOYSA-N
MW296.28 g/mol
LogP3.17
Rot. Bonds2

About 6-hydroxy-3-methyl-4-oxo-2-phenylchromene-8-carboxylic acid

6-hydroxy-3-methyl-4-oxo-2-phenylchromene-8-carboxylic acid (PubChem CID 19972429) has the molecular formula C17H12O5 and a molecular weight of 296.28 g/mol. Its IUPAC name is 6-hydroxy-3-methyl-4-oxo-2-phenylchromene-8-carboxylic acid.

Molecular Properties

Compound Name6-hydroxy-3-methyl-4-oxo-2-phenylchromene-8-carboxylic acid
PubChem CID19972429
Molecular FormulaC17H12O5
Molecular Weight296.28 g/mol
Exact Mass296.07
IUPAC Name6-hydroxy-3-methyl-4-oxo-2-phenylchromene-8-carboxylic acid
SMILESCc1c(-c2ccccc2)oc2c(C(=O)O)cc(O)cc2c1=O
InChIInChI=1S/C17H12O5/c1-9-14(19)12-7-11(18)8-13(17(20)21)16(12)22-15(9)10-5-3-2-4-6-10/h2-8,18H,1H3,(H,20,21)
InChIKeyJSNWZIONBZGCQB-UHFFFAOYSA-N
XLogP3.17
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-3-methyl-4-oxo-2-phenylchromene-8-carboxylic acid?
The IUPAC name of 6-hydroxy-3-methyl-4-oxo-2-phenylchromene-8-carboxylic acid (CID 19972429) is 6-hydroxy-3-methyl-4-oxo-2-phenylchromene-8-carboxylic acid.
What is the SMILES notation for 6-hydroxy-3-methyl-4-oxo-2-phenylchromene-8-carboxylic acid?
The canonical SMILES for 6-hydroxy-3-methyl-4-oxo-2-phenylchromene-8-carboxylic acid is Cc1c(-c2ccccc2)oc2c(C(=O)O)cc(O)cc2c1=O.
What is the InChIKey of 6-hydroxy-3-methyl-4-oxo-2-phenylchromene-8-carboxylic acid?
The InChIKey is JSNWZIONBZGCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O5/c1-9-14(19)12-7-11(18)8-13(17(20)21)16(12)22-15(9)10-5-3-2-4-6-10/h2-8,18H,1H3,(H,20,21).
What are the key properties of 6-hydroxy-3-methyl-4-oxo-2-phenylchromene-8-carboxylic acid?
6-hydroxy-3-methyl-4-oxo-2-phenylchromene-8-carboxylic acid has a molecular weight of 296.28 g/mol, XLogP of 3.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-3-methyl-4-oxo-2-phenylchromene-8-carboxylic acid is sourced from PubChem (CID 19972429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).