3,7,9-trihydroxy-1-methylbenzo[c]chromen-6-one

C14H10O5 — CID 5359485

IUPAC3,7,9-trihydroxy-1-methylbenzo[c]chromen-6-one
SMILESCc1cc(O)cc2oc(=O)c3c(O)cc(O)cc3c12
InChIInChI=1S/C14H10O5/c1-6-2-7(15)5-11-12(6)9-3-8(16)4-10(17)13(9)14(18)19-11/h2-5,15-17H,1H3
InChIKeyCEBXXEKPIIDJHL-UHFFFAOYSA-N
MW258.23 g/mol
LogP2.37
Rot. Bonds

About 3,7,9-trihydroxy-1-methylbenzo[c]chromen-6-one

3,7,9-trihydroxy-1-methylbenzo[c]chromen-6-one (PubChem CID 5359485) has the molecular formula C14H10O5 and a molecular weight of 258.23 g/mol. Its IUPAC name is 3,7,9-trihydroxy-1-methylbenzo[c]chromen-6-one.

Molecular Properties

Compound Name3,7,9-trihydroxy-1-methylbenzo[c]chromen-6-one
PubChem CID5359485
Molecular FormulaC14H10O5
Molecular Weight258.23 g/mol
Exact Mass258.05
IUPAC Name3,7,9-trihydroxy-1-methylbenzo[c]chromen-6-one
SMILESCc1cc(O)cc2oc(=O)c3c(O)cc(O)cc3c12
InChIInChI=1S/C14H10O5/c1-6-2-7(15)5-11-12(6)9-3-8(16)4-10(17)13(9)14(18)19-11/h2-5,15-17H,1H3
InChIKeyCEBXXEKPIIDJHL-UHFFFAOYSA-N
XLogP2.37
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3,7,9-trihydroxy-1-methylbenzo[c]chromen-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,7,9-trihydroxy-1-methylbenzo[c]chromen-6-one?
The IUPAC name of 3,7,9-trihydroxy-1-methylbenzo[c]chromen-6-one (CID 5359485) is 3,7,9-trihydroxy-1-methylbenzo[c]chromen-6-one.
What is the SMILES notation for 3,7,9-trihydroxy-1-methylbenzo[c]chromen-6-one?
The canonical SMILES for 3,7,9-trihydroxy-1-methylbenzo[c]chromen-6-one is Cc1cc(O)cc2oc(=O)c3c(O)cc(O)cc3c12.
What is the InChIKey of 3,7,9-trihydroxy-1-methylbenzo[c]chromen-6-one?
The InChIKey is CEBXXEKPIIDJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O5/c1-6-2-7(15)5-11-12(6)9-3-8(16)4-10(17)13(9)14(18)19-11/h2-5,15-17H,1H3.
What are the key properties of 3,7,9-trihydroxy-1-methylbenzo[c]chromen-6-one?
3,7,9-trihydroxy-1-methylbenzo[c]chromen-6-one has a molecular weight of 258.23 g/mol, XLogP of 2.37, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,9-trihydroxy-1-methylbenzo[c]chromen-6-one is sourced from PubChem (CID 5359485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).