3,8-dihydroxy-4,9-dimethylbenzo[c]chromen-6-one

C15H12O4 — CID 155119057

IUPAC3,8-dihydroxy-4,9-dimethylbenzo[c]chromen-6-one
SMILESCc1cc2c(cc1O)c(=O)oc1c(C)c(O)ccc12
InChIInChI=1S/C15H12O4/c1-7-5-10-9-3-4-12(16)8(2)14(9)19-15(18)11(10)6-13(7)17/h3-6,16-17H,1-2H3
InChIKeyHTOXYAMXBPHKKF-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.97
Rot. Bonds

About 3,8-dihydroxy-4,9-dimethylbenzo[c]chromen-6-one

3,8-dihydroxy-4,9-dimethylbenzo[c]chromen-6-one (PubChem CID 155119057) has the molecular formula C15H12O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is 3,8-dihydroxy-4,9-dimethylbenzo[c]chromen-6-one.

Molecular Properties

Compound Name3,8-dihydroxy-4,9-dimethylbenzo[c]chromen-6-one
PubChem CID155119057
Molecular FormulaC15H12O4
Molecular Weight256.26 g/mol
Exact Mass256.07
IUPAC Name3,8-dihydroxy-4,9-dimethylbenzo[c]chromen-6-one
SMILESCc1cc2c(cc1O)c(=O)oc1c(C)c(O)ccc12
InChIInChI=1S/C15H12O4/c1-7-5-10-9-3-4-12(16)8(2)14(9)19-15(18)11(10)6-13(7)17/h3-6,16-17H,1-2H3
InChIKeyHTOXYAMXBPHKKF-UHFFFAOYSA-N
XLogP2.97
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.97
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 3,8-dihydroxy-4,9-dimethylbenzo[c]chromen-6-one?
The IUPAC name of 3,8-dihydroxy-4,9-dimethylbenzo[c]chromen-6-one (CID 155119057) is 3,8-dihydroxy-4,9-dimethylbenzo[c]chromen-6-one.
What is the SMILES notation for 3,8-dihydroxy-4,9-dimethylbenzo[c]chromen-6-one?
The canonical SMILES for 3,8-dihydroxy-4,9-dimethylbenzo[c]chromen-6-one is Cc1cc2c(cc1O)c(=O)oc1c(C)c(O)ccc12.
What is the InChIKey of 3,8-dihydroxy-4,9-dimethylbenzo[c]chromen-6-one?
The InChIKey is HTOXYAMXBPHKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O4/c1-7-5-10-9-3-4-12(16)8(2)14(9)19-15(18)11(10)6-13(7)17/h3-6,16-17H,1-2H3.
What are the key properties of 3,8-dihydroxy-4,9-dimethylbenzo[c]chromen-6-one?
3,8-dihydroxy-4,9-dimethylbenzo[c]chromen-6-one has a molecular weight of 256.26 g/mol, XLogP of 2.97, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dihydroxy-4,9-dimethylbenzo[c]chromen-6-one is sourced from PubChem (CID 155119057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).