3-(4-chlorophenyl)isochromen-1-one

C15H9ClO2 — CID 13282114

IUPAC3-(4-chlorophenyl)isochromen-1-one
SMILESO=c1oc(-c2ccc(Cl)cc2)cc2ccccc12
InChIInChI=1S/C15H9ClO2/c16-12-7-5-10(6-8-12)14-9-11-3-1-2-4-13(11)15(17)18-14/h1-9H
InChIKeyZKPBBLXVNMNGSK-UHFFFAOYSA-N
MW256.69 g/mol
LogP4.11
Rot. Bonds1

About 3-(4-chlorophenyl)isochromen-1-one

3-(4-chlorophenyl)isochromen-1-one (PubChem CID 13282114) has the molecular formula C15H9ClO2 and a molecular weight of 256.69 g/mol. Its IUPAC name is 3-(4-chlorophenyl)isochromen-1-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)isochromen-1-one
PubChem CID13282114
Molecular FormulaC15H9ClO2
Molecular Weight256.69 g/mol
Exact Mass256.03
IUPAC Name3-(4-chlorophenyl)isochromen-1-one
SMILESO=c1oc(-c2ccc(Cl)cc2)cc2ccccc12
InChIInChI=1S/C15H9ClO2/c16-12-7-5-10(6-8-12)14-9-11-3-1-2-4-13(11)15(17)18-14/h1-9H
InChIKeyZKPBBLXVNMNGSK-UHFFFAOYSA-N
XLogP4.11
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)isochromen-1-one?
The IUPAC name of 3-(4-chlorophenyl)isochromen-1-one (CID 13282114) is 3-(4-chlorophenyl)isochromen-1-one.
What is the SMILES notation for 3-(4-chlorophenyl)isochromen-1-one?
The canonical SMILES for 3-(4-chlorophenyl)isochromen-1-one is O=c1oc(-c2ccc(Cl)cc2)cc2ccccc12.
What is the InChIKey of 3-(4-chlorophenyl)isochromen-1-one?
The InChIKey is ZKPBBLXVNMNGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClO2/c16-12-7-5-10(6-8-12)14-9-11-3-1-2-4-13(11)15(17)18-14/h1-9H.
What are the key properties of 3-(4-chlorophenyl)isochromen-1-one?
3-(4-chlorophenyl)isochromen-1-one has a molecular weight of 256.69 g/mol, XLogP of 4.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)isochromen-1-one is sourced from PubChem (CID 13282114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).