3-(4-chlorophenyl)-3-methoxy-2H-isoindol-1-one

C15H12ClNO2 — CID 5222390

IUPAC3-(4-chlorophenyl)-3-methoxy-2H-isoindol-1-one
SMILESCOC1(c2ccc(Cl)cc2)NC(=O)c2ccccc21
InChIInChI=1S/C15H12ClNO2/c1-19-15(10-6-8-11(16)9-7-10)13-5-3-2-4-12(13)14(18)17-15/h2-9H,1H3,(H,17,18)
InChIKeyUDOFLZXMYNIXSO-UHFFFAOYSA-N
MW273.72 g/mol
LogP2.93
Rot. Bonds2

About 3-(4-chlorophenyl)-3-methoxy-2H-isoindol-1-one

3-(4-chlorophenyl)-3-methoxy-2H-isoindol-1-one (PubChem CID 5222390) has the molecular formula C15H12ClNO2 and a molecular weight of 273.72 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-3-methoxy-2H-isoindol-1-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-3-methoxy-2H-isoindol-1-one
PubChem CID5222390
Molecular FormulaC15H12ClNO2
Molecular Weight273.72 g/mol
Exact Mass273.06
IUPAC Name3-(4-chlorophenyl)-3-methoxy-2H-isoindol-1-one
SMILESCOC1(c2ccc(Cl)cc2)NC(=O)c2ccccc21
InChIInChI=1S/C15H12ClNO2/c1-19-15(10-6-8-11(16)9-7-10)13-5-3-2-4-12(13)14(18)17-15/h2-9H,1H3,(H,17,18)
InChIKeyUDOFLZXMYNIXSO-UHFFFAOYSA-N
XLogP2.93
TPSA38.33 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 ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-3-methoxy-2H-isoindol-1-one?
The IUPAC name of 3-(4-chlorophenyl)-3-methoxy-2H-isoindol-1-one (CID 5222390) is 3-(4-chlorophenyl)-3-methoxy-2H-isoindol-1-one.
What is the SMILES notation for 3-(4-chlorophenyl)-3-methoxy-2H-isoindol-1-one?
The canonical SMILES for 3-(4-chlorophenyl)-3-methoxy-2H-isoindol-1-one is COC1(c2ccc(Cl)cc2)NC(=O)c2ccccc21.
What is the InChIKey of 3-(4-chlorophenyl)-3-methoxy-2H-isoindol-1-one?
The InChIKey is UDOFLZXMYNIXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO2/c1-19-15(10-6-8-11(16)9-7-10)13-5-3-2-4-12(13)14(18)17-15/h2-9H,1H3,(H,17,18).
What are the key properties of 3-(4-chlorophenyl)-3-methoxy-2H-isoindol-1-one?
3-(4-chlorophenyl)-3-methoxy-2H-isoindol-1-one has a molecular weight of 273.72 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-3-methoxy-2H-isoindol-1-one is sourced from PubChem (CID 5222390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).