6-oxobenzo[c]chromene-7-carboxylic acid

C14H8O4 — CID 14083219

IUPAC6-oxobenzo[c]chromene-7-carboxylic acid
SMILESO=C(O)c1cccc2c1c(=O)oc1ccccc12
InChIInChI=1S/C14H8O4/c15-13(16)10-6-3-5-9-8-4-1-2-7-11(8)18-14(17)12(9)10/h1-7H,(H,15,16)
InChIKeyHXCBTBVYKMZYNM-UHFFFAOYSA-N
MW240.21 g/mol
LogP2.64
Rot. Bonds1

About 6-oxobenzo[c]chromene-7-carboxylic acid

6-oxobenzo[c]chromene-7-carboxylic acid (PubChem CID 14083219) has the molecular formula C14H8O4 and a molecular weight of 240.21 g/mol. Its IUPAC name is 6-oxobenzo[c]chromene-7-carboxylic acid.

Molecular Properties

Compound Name6-oxobenzo[c]chromene-7-carboxylic acid
PubChem CID14083219
Molecular FormulaC14H8O4
Molecular Weight240.21 g/mol
Exact Mass240.04
IUPAC Name6-oxobenzo[c]chromene-7-carboxylic acid
SMILESO=C(O)c1cccc2c1c(=O)oc1ccccc12
InChIInChI=1S/C14H8O4/c15-13(16)10-6-3-5-9-8-4-1-2-7-11(8)18-14(17)12(9)10/h1-7H,(H,15,16)
InChIKeyHXCBTBVYKMZYNM-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_3', 'substructure': 'N/A'}

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Related Compounds

1-benzoylbenzo[c]chromen-6-one
CID 21258648
N-(6-oxobenzo[c]chromen-7-yl)acetamide
CID 69024767
6-oxobenzo[c]chromene-10-carboxylate
CID 7345130
5-hydroxy-2-oxochromene-3-carboxylic acid
CID 91664855
naphtho[1,2-c]chromen-5-one
CID 102526290
8,17-dioxaheptacyclo[22.6.6.02,7.010,15.018,23.025,30.031,36]hexatriaconta-1(31),2,4,6,10,12,14,18,20,22,24(36),25,27,29,32,34-hexadecaene-9,16-dione
CID 59760668
7-[3-(6-oxobenzo[c]chromen-7-yl)-5-phenylphenyl]benzo[c]chromen-6-one
CID 121242464
2-(2-oxo-3-sulfanylchromen-4-yl)sulfanylbenzoic acid
CID 15669187
1-dibenzofuran-4-ylethanone
CID 15691981
7-chloro-8-hydroxybenzo[c]chromen-6-one
CID 164598055
2-methyldibenzofuran-4-carboxylic acid
CID 167268287
5-bromo-2-dibenzofuran-4-ylbenzoic acid
CID 122634670

Frequently Asked Questions

What is the IUPAC name of 6-oxobenzo[c]chromene-7-carboxylic acid?
The IUPAC name of 6-oxobenzo[c]chromene-7-carboxylic acid (CID 14083219) is 6-oxobenzo[c]chromene-7-carboxylic acid.
What is the SMILES notation for 6-oxobenzo[c]chromene-7-carboxylic acid?
The canonical SMILES for 6-oxobenzo[c]chromene-7-carboxylic acid is O=C(O)c1cccc2c1c(=O)oc1ccccc12.
What is the InChIKey of 6-oxobenzo[c]chromene-7-carboxylic acid?
The InChIKey is HXCBTBVYKMZYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8O4/c15-13(16)10-6-3-5-9-8-4-1-2-7-11(8)18-14(17)12(9)10/h1-7H,(H,15,16).
What are the key properties of 6-oxobenzo[c]chromene-7-carboxylic acid?
6-oxobenzo[c]chromene-7-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 6-oxobenzo[c]chromene-7-carboxylic acid is sourced from PubChem (CID 14083219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).