3,8-dihydroxybenzo[c]chromen-6-one

C13H8O4 — CID 5488186

IUPAC3,8-dihydroxybenzo[c]chromen-6-one
SMILESO=c1oc2cc(O)ccc2c2ccc(O)cc12
InChIInChI=1S/C13H8O4/c14-7-1-3-9-10-4-2-8(15)6-12(10)17-13(16)11(9)5-7/h1-6,14-15H
InChIKeyRIUPLDUFZCXCHM-UHFFFAOYSA-N
MW228.20 g/mol
LogP2.36
Rot. Bonds

About 3,8-dihydroxybenzo[c]chromen-6-one

3,8-dihydroxybenzo[c]chromen-6-one (PubChem CID 5488186) has the molecular formula C13H8O4 and a molecular weight of 228.20 g/mol. Its IUPAC name is 3,8-dihydroxybenzo[c]chromen-6-one.

Molecular Properties

Compound Name3,8-dihydroxybenzo[c]chromen-6-one
PubChem CID5488186
Molecular FormulaC13H8O4
Molecular Weight228.20 g/mol
Exact Mass228.04
IUPAC Name3,8-dihydroxybenzo[c]chromen-6-one
SMILESO=c1oc2cc(O)ccc2c2ccc(O)cc12
InChIInChI=1S/C13H8O4/c14-7-1-3-9-10-4-2-8(15)6-12(10)17-13(16)11(9)5-7/h1-6,14-15H
InChIKeyRIUPLDUFZCXCHM-UHFFFAOYSA-N
XLogP2.36
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.20
LogP ≤ 52.36
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-dihydroxybenzo[c]chromen-6-one?
The IUPAC name of 3,8-dihydroxybenzo[c]chromen-6-one (CID 5488186) is 3,8-dihydroxybenzo[c]chromen-6-one.
What is the SMILES notation for 3,8-dihydroxybenzo[c]chromen-6-one?
The canonical SMILES for 3,8-dihydroxybenzo[c]chromen-6-one is O=c1oc2cc(O)ccc2c2ccc(O)cc12.
What is the InChIKey of 3,8-dihydroxybenzo[c]chromen-6-one?
The InChIKey is RIUPLDUFZCXCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8O4/c14-7-1-3-9-10-4-2-8(15)6-12(10)17-13(16)11(9)5-7/h1-6,14-15H.
What are the key properties of 3,8-dihydroxybenzo[c]chromen-6-one?
3,8-dihydroxybenzo[c]chromen-6-one has a molecular weight of 228.20 g/mol, XLogP of 2.36, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dihydroxybenzo[c]chromen-6-one is sourced from PubChem (CID 5488186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).