3-hydroxy-4,10-dimethylbenzo[c]chromen-6-one

C15H12O3 — CID 10082995

IUPAC3-hydroxy-4,10-dimethylbenzo[c]chromen-6-one
SMILESCc1c(O)ccc2c1oc(=O)c1cccc(C)c12
InChIInChI=1S/C15H12O3/c1-8-4-3-5-11-13(8)10-6-7-12(16)9(2)14(10)18-15(11)17/h3-7,16H,1-2H3
InChIKeyPSZUCXJKMVSZSN-UHFFFAOYSA-N
MW240.26 g/mol
LogP3.27
Rot. Bonds

About 3-hydroxy-4,10-dimethylbenzo[c]chromen-6-one

3-hydroxy-4,10-dimethylbenzo[c]chromen-6-one (PubChem CID 10082995) has the molecular formula C15H12O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 3-hydroxy-4,10-dimethylbenzo[c]chromen-6-one.

Molecular Properties

Compound Name3-hydroxy-4,10-dimethylbenzo[c]chromen-6-one
PubChem CID10082995
Molecular FormulaC15H12O3
Molecular Weight240.26 g/mol
Exact Mass240.08
IUPAC Name3-hydroxy-4,10-dimethylbenzo[c]chromen-6-one
SMILESCc1c(O)ccc2c1oc(=O)c1cccc(C)c12
InChIInChI=1S/C15H12O3/c1-8-4-3-5-11-13(8)10-6-7-12(16)9(2)14(10)18-15(11)17/h3-7,16H,1-2H3
InChIKeyPSZUCXJKMVSZSN-UHFFFAOYSA-N
XLogP3.27
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 53.27
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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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4,10-dimethylbenzo[c]chromen-6-one?
The IUPAC name of 3-hydroxy-4,10-dimethylbenzo[c]chromen-6-one (CID 10082995) is 3-hydroxy-4,10-dimethylbenzo[c]chromen-6-one.
What is the SMILES notation for 3-hydroxy-4,10-dimethylbenzo[c]chromen-6-one?
The canonical SMILES for 3-hydroxy-4,10-dimethylbenzo[c]chromen-6-one is Cc1c(O)ccc2c1oc(=O)c1cccc(C)c12.
What is the InChIKey of 3-hydroxy-4,10-dimethylbenzo[c]chromen-6-one?
The InChIKey is PSZUCXJKMVSZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O3/c1-8-4-3-5-11-13(8)10-6-7-12(16)9(2)14(10)18-15(11)17/h3-7,16H,1-2H3.
What are the key properties of 3-hydroxy-4,10-dimethylbenzo[c]chromen-6-one?
3-hydroxy-4,10-dimethylbenzo[c]chromen-6-one has a molecular weight of 240.26 g/mol, XLogP of 3.27, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4,10-dimethylbenzo[c]chromen-6-one is sourced from PubChem (CID 10082995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).