4-(3-amino-2-chloro-6-methylphenyl)phenol

C13H12ClNO — CID 174846171

IUPAC4-(3-amino-2-chloro-6-methylphenyl)phenol
SMILESCc1ccc(N)c(Cl)c1-c1ccc(O)cc1
InChIInChI=1S/C13H12ClNO/c1-8-2-7-11(15)13(14)12(8)9-3-5-10(16)6-4-9/h2-7,16H,15H2,1H3
InChIKeyXBFOGPHWSKSUGV-UHFFFAOYSA-N
MW233.70 g/mol
LogP3.60
Rot. Bonds1

About 4-(3-amino-2-chloro-6-methylphenyl)phenol

4-(3-amino-2-chloro-6-methylphenyl)phenol (PubChem CID 174846171) has the molecular formula C13H12ClNO and a molecular weight of 233.70 g/mol. Its IUPAC name is 4-(3-amino-2-chloro-6-methylphenyl)phenol.

Molecular Properties

Compound Name4-(3-amino-2-chloro-6-methylphenyl)phenol
PubChem CID174846171
Molecular FormulaC13H12ClNO
Molecular Weight233.70 g/mol
Exact Mass233.06
IUPAC Name4-(3-amino-2-chloro-6-methylphenyl)phenol
SMILESCc1ccc(N)c(Cl)c1-c1ccc(O)cc1
InChIInChI=1S/C13H12ClNO/c1-8-2-7-11(15)13(14)12(8)9-3-5-10(16)6-4-9/h2-7,16H,15H2,1H3
InChIKeyXBFOGPHWSKSUGV-UHFFFAOYSA-N
XLogP3.60
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-2-chloro-6-methylphenyl)phenol?
The IUPAC name of 4-(3-amino-2-chloro-6-methylphenyl)phenol (CID 174846171) is 4-(3-amino-2-chloro-6-methylphenyl)phenol.
What is the SMILES notation for 4-(3-amino-2-chloro-6-methylphenyl)phenol?
The canonical SMILES for 4-(3-amino-2-chloro-6-methylphenyl)phenol is Cc1ccc(N)c(Cl)c1-c1ccc(O)cc1.
What is the InChIKey of 4-(3-amino-2-chloro-6-methylphenyl)phenol?
The InChIKey is XBFOGPHWSKSUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO/c1-8-2-7-11(15)13(14)12(8)9-3-5-10(16)6-4-9/h2-7,16H,15H2,1H3.
What are the key properties of 4-(3-amino-2-chloro-6-methylphenyl)phenol?
4-(3-amino-2-chloro-6-methylphenyl)phenol has a molecular weight of 233.70 g/mol, XLogP of 3.60, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-2-chloro-6-methylphenyl)phenol is sourced from PubChem (CID 174846171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).