3-hydroxybenzo[c]chromen-6-one

C13H8O3 — CID 5380406

IUPAC3-hydroxybenzo[c]chromen-6-one
SMILESO=c1oc2cc(O)ccc2c2ccccc12
InChIInChI=1S/C13H8O3/c14-8-5-6-10-9-3-1-2-4-11(9)13(15)16-12(10)7-8/h1-7,14H
InChIKeyWXUQMTRHPNOXBV-UHFFFAOYSA-N
MW212.20 g/mol
LogP2.65
Rot. Bonds

About 3-hydroxybenzo[c]chromen-6-one

3-hydroxybenzo[c]chromen-6-one (PubChem CID 5380406) has the molecular formula C13H8O3 and a molecular weight of 212.20 g/mol. Its IUPAC name is 3-hydroxybenzo[c]chromen-6-one.

Molecular Properties

Compound Name3-hydroxybenzo[c]chromen-6-one
PubChem CID5380406
Molecular FormulaC13H8O3
Molecular Weight212.20 g/mol
Exact Mass212.05
IUPAC Name3-hydroxybenzo[c]chromen-6-one
SMILESO=c1oc2cc(O)ccc2c2ccccc12
InChIInChI=1S/C13H8O3/c14-8-5-6-10-9-3-1-2-4-11(9)13(15)16-12(10)7-8/h1-7,14H
InChIKeyWXUQMTRHPNOXBV-UHFFFAOYSA-N
XLogP2.65
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 52.65
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-hydroxybenzo[c]chromen-6-one?
The IUPAC name of 3-hydroxybenzo[c]chromen-6-one (CID 5380406) is 3-hydroxybenzo[c]chromen-6-one.
What is the SMILES notation for 3-hydroxybenzo[c]chromen-6-one?
The canonical SMILES for 3-hydroxybenzo[c]chromen-6-one is O=c1oc2cc(O)ccc2c2ccccc12.
What is the InChIKey of 3-hydroxybenzo[c]chromen-6-one?
The InChIKey is WXUQMTRHPNOXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8O3/c14-8-5-6-10-9-3-1-2-4-11(9)13(15)16-12(10)7-8/h1-7,14H.
What are the key properties of 3-hydroxybenzo[c]chromen-6-one?
3-hydroxybenzo[c]chromen-6-one has a molecular weight of 212.20 g/mol, XLogP of 2.65, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxybenzo[c]chromen-6-one is sourced from PubChem (CID 5380406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).