4-amino-3-[(4-chlorophenyl)methyl]phenol

C13H12ClNO — CID 105493763

IUPAC4-amino-3-[(4-chlorophenyl)methyl]phenol
SMILESNc1ccc(O)cc1Cc1ccc(Cl)cc1
InChIInChI=1S/C13H12ClNO/c14-11-3-1-9(2-4-11)7-10-8-12(16)5-6-13(10)15/h1-6,8,16H,7,15H2
InChIKeyQRZJHBGYXQDFCB-UHFFFAOYSA-N
MW233.70 g/mol
LogP3.22
Rot. Bonds2

About 4-amino-3-[(4-chlorophenyl)methyl]phenol

4-amino-3-[(4-chlorophenyl)methyl]phenol (PubChem CID 105493763) has the molecular formula C13H12ClNO and a molecular weight of 233.70 g/mol. Its IUPAC name is 4-amino-3-[(4-chlorophenyl)methyl]phenol.

Molecular Properties

Compound Name4-amino-3-[(4-chlorophenyl)methyl]phenol
PubChem CID105493763
Molecular FormulaC13H12ClNO
Molecular Weight233.70 g/mol
Exact Mass233.06
IUPAC Name4-amino-3-[(4-chlorophenyl)methyl]phenol
SMILESNc1ccc(O)cc1Cc1ccc(Cl)cc1
InChIInChI=1S/C13H12ClNO/c14-11-3-1-9(2-4-11)7-10-8-12(16)5-6-13(10)15/h1-6,8,16H,7,15H2
InChIKeyQRZJHBGYXQDFCB-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[(4-chlorophenyl)methyl]phenol?
The IUPAC name of 4-amino-3-[(4-chlorophenyl)methyl]phenol (CID 105493763) is 4-amino-3-[(4-chlorophenyl)methyl]phenol.
What is the SMILES notation for 4-amino-3-[(4-chlorophenyl)methyl]phenol?
The canonical SMILES for 4-amino-3-[(4-chlorophenyl)methyl]phenol is Nc1ccc(O)cc1Cc1ccc(Cl)cc1.
What is the InChIKey of 4-amino-3-[(4-chlorophenyl)methyl]phenol?
The InChIKey is QRZJHBGYXQDFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO/c14-11-3-1-9(2-4-11)7-10-8-12(16)5-6-13(10)15/h1-6,8,16H,7,15H2.
What are the key properties of 4-amino-3-[(4-chlorophenyl)methyl]phenol?
4-amino-3-[(4-chlorophenyl)methyl]phenol has a molecular weight of 233.70 g/mol, XLogP of 3.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[(4-chlorophenyl)methyl]phenol is sourced from PubChem (CID 105493763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).