2-oxobenzo[g]chromene-3-carboxylic acid

C14H8O4 — CID 11345462

IUPAC2-oxobenzo[g]chromene-3-carboxylic acid
SMILESO=C(O)c1cc2cc3ccccc3cc2oc1=O
InChIInChI=1S/C14H8O4/c15-13(16)11-6-10-5-8-3-1-2-4-9(8)7-12(10)18-14(11)17/h1-7H,(H,15,16)
InChIKeyMKUZSPRQSHPWCE-UHFFFAOYSA-N
MW240.21 g/mol
LogP2.64
Rot. Bonds1

About 2-oxobenzo[g]chromene-3-carboxylic acid

2-oxobenzo[g]chromene-3-carboxylic acid (PubChem CID 11345462) has the molecular formula C14H8O4 and a molecular weight of 240.21 g/mol. Its IUPAC name is 2-oxobenzo[g]chromene-3-carboxylic acid.

Molecular Properties

Compound Name2-oxobenzo[g]chromene-3-carboxylic acid
PubChem CID11345462
Molecular FormulaC14H8O4
Molecular Weight240.21 g/mol
Exact Mass240.04
IUPAC Name2-oxobenzo[g]chromene-3-carboxylic acid
SMILESO=C(O)c1cc2cc3ccccc3cc2oc1=O
InChIInChI=1S/C14H8O4/c15-13(16)11-6-10-5-8-3-1-2-4-9(8)7-12(10)18-14(11)17/h1-7H,(H,15,16)
InChIKeyMKUZSPRQSHPWCE-UHFFFAOYSA-N
XLogP2.64
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-oxochromene-3-carboxylic acid
CID 161011590
3-(2-bromoacetyl)benzo[g]chromen-2-one
CID 11267082
benzo[f][1]benzofuran-2-carboxylic acid
CID 21450579
2-oxochromene-3,6-dicarboxylic acid
CID 22966
7-[methyl(naphthalen-2-ylmethyl)amino]-2-oxochromene-3-carboxylic acid
CID 121297944
7-(hydroxymethyl)-2-oxochromene-3-carboxylic acid
CID 89307661
2-oxo-7-(trifluoromethylsulfonyloxy)chromene-3-carboxylic acid
CID 22134873
6-chloro-7-(hydroxymethyl)-2-oxochromene-3-carboxylic acid
CID 89307657
2-[(6,7-dimethyl-2-oxochromene-3-carbonyl)amino]benzoic acid
CID 89114835
7-cyclobutyloxy-2-oxochromene-3-carboxylic acid
CID 166609266
7-[methyl(naphthalen-1-ylmethyl)amino]-2-oxochromene-3-carboxylic acid
CID 121295088
7-[benzyl(methyl)amino]-6-methoxy-2-oxochromene-3-carboxylic acid
CID 121297951

Frequently Asked Questions

What is the IUPAC name of 2-oxobenzo[g]chromene-3-carboxylic acid?
The IUPAC name of 2-oxobenzo[g]chromene-3-carboxylic acid (CID 11345462) is 2-oxobenzo[g]chromene-3-carboxylic acid.
What is the SMILES notation for 2-oxobenzo[g]chromene-3-carboxylic acid?
The canonical SMILES for 2-oxobenzo[g]chromene-3-carboxylic acid is O=C(O)c1cc2cc3ccccc3cc2oc1=O.
What is the InChIKey of 2-oxobenzo[g]chromene-3-carboxylic acid?
The InChIKey is MKUZSPRQSHPWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8O4/c15-13(16)11-6-10-5-8-3-1-2-4-9(8)7-12(10)18-14(11)17/h1-7H,(H,15,16).
What are the key properties of 2-oxobenzo[g]chromene-3-carboxylic acid?
2-oxobenzo[g]chromene-3-carboxylic acid has a molecular weight of 240.21 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxobenzo[g]chromene-3-carboxylic acid is sourced from PubChem (CID 11345462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).