2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-ol

C15H16ClNO — CID 83208992

IUPAC2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-ol
SMILESOC1CCCc2cn(Cc3ccccc3Cl)cc21
InChIInChI=1S/C15H16ClNO/c16-14-6-2-1-4-12(14)9-17-8-11-5-3-7-15(18)13(11)10-17/h1-2,4,6,8,10,15,18H,3,5,7,9H2
InChIKeyGKLNPNNPSGZHAB-UHFFFAOYSA-N
MW261.75 g/mol
LogP3.56
Rot. Bonds2

About 2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-ol

2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-ol (PubChem CID 83208992) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-ol.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-ol
PubChem CID83208992
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-ol
SMILESOC1CCCc2cn(Cc3ccccc3Cl)cc21
InChIInChI=1S/C15H16ClNO/c16-14-6-2-1-4-12(14)9-17-8-11-5-3-7-15(18)13(11)10-17/h1-2,4,6,8,10,15,18H,3,5,7,9H2
InChIKeyGKLNPNNPSGZHAB-UHFFFAOYSA-N
XLogP3.56
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-ol?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-ol (CID 83208992) is 2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-ol.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-ol?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-ol is OC1CCCc2cn(Cc3ccccc3Cl)cc21.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-ol?
The InChIKey is GKLNPNNPSGZHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c16-14-6-2-1-4-12(14)9-17-8-11-5-3-7-15(18)13(11)10-17/h1-2,4,6,8,10,15,18H,3,5,7,9H2.
What are the key properties of 2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-ol?
2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-ol has a molecular weight of 261.75 g/mol, XLogP of 3.56, 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]-4,5,6,7-tetrahydroisoindol-4-ol is sourced from PubChem (CID 83208992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).