methyl 9-hydroxy-6-oxobenzo[c]chromene-8-carboxylate

C15H10O5 — CID 102039945

IUPACmethyl 9-hydroxy-6-oxobenzo[c]chromene-8-carboxylate
SMILESCOC(=O)c1cc2c(=O)oc3ccccc3c2cc1O
InChIInChI=1S/C15H10O5/c1-19-14(17)11-6-10-9(7-12(11)16)8-4-2-3-5-13(8)20-15(10)18/h2-7,16H,1H3
InChIKeyYBRWIFVSHPHNJC-UHFFFAOYSA-N
MW270.24 g/mol
LogP2.44
Rot. Bonds1

About methyl 9-hydroxy-6-oxobenzo[c]chromene-8-carboxylate

methyl 9-hydroxy-6-oxobenzo[c]chromene-8-carboxylate (PubChem CID 102039945) has the molecular formula C15H10O5 and a molecular weight of 270.24 g/mol. Its IUPAC name is methyl 9-hydroxy-6-oxobenzo[c]chromene-8-carboxylate.

Molecular Properties

Compound Namemethyl 9-hydroxy-6-oxobenzo[c]chromene-8-carboxylate
PubChem CID102039945
Molecular FormulaC15H10O5
Molecular Weight270.24 g/mol
Exact Mass270.05
IUPAC Namemethyl 9-hydroxy-6-oxobenzo[c]chromene-8-carboxylate
SMILESCOC(=O)c1cc2c(=O)oc3ccccc3c2cc1O
InChIInChI=1S/C15H10O5/c1-19-14(17)11-6-10-9(7-12(11)16)8-4-2-3-5-13(8)20-15(10)18/h2-7,16H,1H3
InChIKeyYBRWIFVSHPHNJC-UHFFFAOYSA-N
XLogP2.44
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 9-hydroxy-6-oxobenzo[c]chromene-8-carboxylate?
The IUPAC name of methyl 9-hydroxy-6-oxobenzo[c]chromene-8-carboxylate (CID 102039945) is methyl 9-hydroxy-6-oxobenzo[c]chromene-8-carboxylate.
What is the SMILES notation for methyl 9-hydroxy-6-oxobenzo[c]chromene-8-carboxylate?
The canonical SMILES for methyl 9-hydroxy-6-oxobenzo[c]chromene-8-carboxylate is COC(=O)c1cc2c(=O)oc3ccccc3c2cc1O.
What is the InChIKey of methyl 9-hydroxy-6-oxobenzo[c]chromene-8-carboxylate?
The InChIKey is YBRWIFVSHPHNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O5/c1-19-14(17)11-6-10-9(7-12(11)16)8-4-2-3-5-13(8)20-15(10)18/h2-7,16H,1H3.
What are the key properties of methyl 9-hydroxy-6-oxobenzo[c]chromene-8-carboxylate?
methyl 9-hydroxy-6-oxobenzo[c]chromene-8-carboxylate has a molecular weight of 270.24 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-hydroxy-6-oxobenzo[c]chromene-8-carboxylate is sourced from PubChem (CID 102039945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).