2-chloro-3-hydroxybenzo[c]chromen-6-one

C13H7ClO3 — CID 5428505

IUPAC2-chloro-3-hydroxybenzo[c]chromen-6-one
SMILESO=c1oc2cc(O)c(Cl)cc2c2ccccc12
InChIInChI=1S/C13H7ClO3/c14-10-5-9-7-3-1-2-4-8(7)13(16)17-12(9)6-11(10)15/h1-6,15H
InChIKeyRMVBXXJNOAXYHY-UHFFFAOYSA-N
MW246.65 g/mol
LogP3.31
Rot. Bonds

About 2-chloro-3-hydroxybenzo[c]chromen-6-one

2-chloro-3-hydroxybenzo[c]chromen-6-one (PubChem CID 5428505) has the molecular formula C13H7ClO3 and a molecular weight of 246.65 g/mol. Its IUPAC name is 2-chloro-3-hydroxybenzo[c]chromen-6-one.

Molecular Properties

Compound Name2-chloro-3-hydroxybenzo[c]chromen-6-one
PubChem CID5428505
Molecular FormulaC13H7ClO3
Molecular Weight246.65 g/mol
Exact Mass246.01
IUPAC Name2-chloro-3-hydroxybenzo[c]chromen-6-one
SMILESO=c1oc2cc(O)c(Cl)cc2c2ccccc12
InChIInChI=1S/C13H7ClO3/c14-10-5-9-7-3-1-2-4-8(7)13(16)17-12(9)6-11(10)15/h1-6,15H
InChIKeyRMVBXXJNOAXYHY-UHFFFAOYSA-N
XLogP3.31
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.65
LogP ≤ 53.31
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 2-chloro-3-hydroxybenzo[c]chromen-6-one?
The IUPAC name of 2-chloro-3-hydroxybenzo[c]chromen-6-one (CID 5428505) is 2-chloro-3-hydroxybenzo[c]chromen-6-one.
What is the SMILES notation for 2-chloro-3-hydroxybenzo[c]chromen-6-one?
The canonical SMILES for 2-chloro-3-hydroxybenzo[c]chromen-6-one is O=c1oc2cc(O)c(Cl)cc2c2ccccc12.
What is the InChIKey of 2-chloro-3-hydroxybenzo[c]chromen-6-one?
The InChIKey is RMVBXXJNOAXYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClO3/c14-10-5-9-7-3-1-2-4-8(7)13(16)17-12(9)6-11(10)15/h1-6,15H.
What are the key properties of 2-chloro-3-hydroxybenzo[c]chromen-6-one?
2-chloro-3-hydroxybenzo[c]chromen-6-one has a molecular weight of 246.65 g/mol, XLogP of 3.31, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-hydroxybenzo[c]chromen-6-one is sourced from PubChem (CID 5428505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).