6-oxobenzo[c]chromene-10-carboxylate

C14H7O4- — CID 7345130

IUPAC6-oxobenzo[c]chromene-10-carboxylate
SMILESO=C([O-])c1cccc2c(=O)oc3ccccc3c12
InChIInChI=1S/C14H8O4/c15-13(16)9-5-3-6-10-12(9)8-4-1-2-7-11(8)18-14(10)17/h1-7H,(H,15,16)/p-1
InChIKeyZJQQNTZSEIIVLU-UHFFFAOYSA-M
MW239.21 g/mol
LogP1.31
Rot. Bonds1

About 6-oxobenzo[c]chromene-10-carboxylate

6-oxobenzo[c]chromene-10-carboxylate (PubChem CID 7345130) has the molecular formula C14H7O4- and a molecular weight of 239.21 g/mol. Its IUPAC name is 6-oxobenzo[c]chromene-10-carboxylate.

Molecular Properties

Compound Name6-oxobenzo[c]chromene-10-carboxylate
PubChem CID7345130
Molecular FormulaC14H7O4-
Molecular Weight239.21 g/mol
Exact Mass239.03
IUPAC Name6-oxobenzo[c]chromene-10-carboxylate
SMILESO=C([O-])c1cccc2c(=O)oc3ccccc3c12
InChIInChI=1S/C14H8O4/c15-13(16)9-5-3-6-10-12(9)8-4-1-2-7-11(8)18-14(10)17/h1-7H,(H,15,16)/p-1
InChIKeyZJQQNTZSEIIVLU-UHFFFAOYSA-M
XLogP1.31
TPSA70.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.21
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Frequently Asked Questions

What is the IUPAC name of 6-oxobenzo[c]chromene-10-carboxylate?
The IUPAC name of 6-oxobenzo[c]chromene-10-carboxylate (CID 7345130) is 6-oxobenzo[c]chromene-10-carboxylate.
What is the SMILES notation for 6-oxobenzo[c]chromene-10-carboxylate?
The canonical SMILES for 6-oxobenzo[c]chromene-10-carboxylate is O=C([O-])c1cccc2c(=O)oc3ccccc3c12.
What is the InChIKey of 6-oxobenzo[c]chromene-10-carboxylate?
The InChIKey is ZJQQNTZSEIIVLU-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H8O4/c15-13(16)9-5-3-6-10-12(9)8-4-1-2-7-11(8)18-14(10)17/h1-7H,(H,15,16)/p-1.
What are the key properties of 6-oxobenzo[c]chromene-10-carboxylate?
6-oxobenzo[c]chromene-10-carboxylate has a molecular weight of 239.21 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxobenzo[c]chromene-10-carboxylate is sourced from PubChem (CID 7345130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).