[2-(3-amino-5-chlorophenyl)phenyl]methanol

C13H12ClNO — CID 89253488

IUPAC[2-(3-amino-5-chlorophenyl)phenyl]methanol
SMILESNc1cc(Cl)cc(-c2ccccc2CO)c1
InChIInChI=1S/C13H12ClNO/c14-11-5-10(6-12(15)7-11)13-4-2-1-3-9(13)8-16/h1-7,16H,8,15H2
InChIKeyCVXCKBHVGCFZSM-UHFFFAOYSA-N
MW233.70 g/mol
LogP3.08
Rot. Bonds2

About [2-(3-amino-5-chlorophenyl)phenyl]methanol

[2-(3-amino-5-chlorophenyl)phenyl]methanol (PubChem CID 89253488) has the molecular formula C13H12ClNO and a molecular weight of 233.70 g/mol. Its IUPAC name is [2-(3-amino-5-chlorophenyl)phenyl]methanol.

Molecular Properties

Compound Name[2-(3-amino-5-chlorophenyl)phenyl]methanol
PubChem CID89253488
Molecular FormulaC13H12ClNO
Molecular Weight233.70 g/mol
Exact Mass233.06
IUPAC Name[2-(3-amino-5-chlorophenyl)phenyl]methanol
SMILESNc1cc(Cl)cc(-c2ccccc2CO)c1
InChIInChI=1S/C13H12ClNO/c14-11-5-10(6-12(15)7-11)13-4-2-1-3-9(13)8-16/h1-7,16H,8,15H2
InChIKeyCVXCKBHVGCFZSM-UHFFFAOYSA-N
XLogP3.08
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze [2-(3-amino-5-chlorophenyl)phenyl]methanol 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-(3-amino-5-chlorophenyl)phenyl]methanol?
The IUPAC name of [2-(3-amino-5-chlorophenyl)phenyl]methanol (CID 89253488) is [2-(3-amino-5-chlorophenyl)phenyl]methanol.
What is the SMILES notation for [2-(3-amino-5-chlorophenyl)phenyl]methanol?
The canonical SMILES for [2-(3-amino-5-chlorophenyl)phenyl]methanol is Nc1cc(Cl)cc(-c2ccccc2CO)c1.
What is the InChIKey of [2-(3-amino-5-chlorophenyl)phenyl]methanol?
The InChIKey is CVXCKBHVGCFZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO/c14-11-5-10(6-12(15)7-11)13-4-2-1-3-9(13)8-16/h1-7,16H,8,15H2.
What are the key properties of [2-(3-amino-5-chlorophenyl)phenyl]methanol?
[2-(3-amino-5-chlorophenyl)phenyl]methanol has a molecular weight of 233.70 g/mol, XLogP of 3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-amino-5-chlorophenyl)phenyl]methanol is sourced from PubChem (CID 89253488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).