2-[(2-chlorophenyl)methyl]-3-hydroxy-3H-isoindol-1-one

C15H12ClNO2 — CID 5307375

IUPAC2-[(2-chlorophenyl)methyl]-3-hydroxy-3H-isoindol-1-one
SMILESO=C1c2ccccc2C(O)N1Cc1ccccc1Cl
InChIInChI=1S/C15H12ClNO2/c16-13-8-4-1-5-10(13)9-17-14(18)11-6-2-3-7-12(11)15(17)19/h1-8,14,18H,9H2
InChIKeyKZPSEHDZYRELII-UHFFFAOYSA-N
MW273.72 g/mol
LogP2.99
Rot. Bonds2

About 2-[(2-chlorophenyl)methyl]-3-hydroxy-3H-isoindol-1-one

2-[(2-chlorophenyl)methyl]-3-hydroxy-3H-isoindol-1-one (PubChem CID 5307375) has the molecular formula C15H12ClNO2 and a molecular weight of 273.72 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-3-hydroxy-3H-isoindol-1-one.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-3-hydroxy-3H-isoindol-1-one
PubChem CID5307375
Molecular FormulaC15H12ClNO2
Molecular Weight273.72 g/mol
Exact Mass273.06
IUPAC Name2-[(2-chlorophenyl)methyl]-3-hydroxy-3H-isoindol-1-one
SMILESO=C1c2ccccc2C(O)N1Cc1ccccc1Cl
InChIInChI=1S/C15H12ClNO2/c16-13-8-4-1-5-10(13)9-17-14(18)11-6-2-3-7-12(11)15(17)19/h1-8,14,18H,9H2
InChIKeyKZPSEHDZYRELII-UHFFFAOYSA-N
XLogP2.99
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-3-hydroxy-3H-isoindol-1-one?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-3-hydroxy-3H-isoindol-1-one (CID 5307375) is 2-[(2-chlorophenyl)methyl]-3-hydroxy-3H-isoindol-1-one.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-3-hydroxy-3H-isoindol-1-one?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-3-hydroxy-3H-isoindol-1-one is O=C1c2ccccc2C(O)N1Cc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-3-hydroxy-3H-isoindol-1-one?
The InChIKey is KZPSEHDZYRELII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO2/c16-13-8-4-1-5-10(13)9-17-14(18)11-6-2-3-7-12(11)15(17)19/h1-8,14,18H,9H2.
What are the key properties of 2-[(2-chlorophenyl)methyl]-3-hydroxy-3H-isoindol-1-one?
2-[(2-chlorophenyl)methyl]-3-hydroxy-3H-isoindol-1-one has a molecular weight of 273.72 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-3-hydroxy-3H-isoindol-1-one is sourced from PubChem (CID 5307375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).