1-(2-amino-4-chlorophenyl)-2-hydroxy-2-phenylethanone

C14H12ClNO2 — CID 67942436

IUPAC1-(2-amino-4-chlorophenyl)-2-hydroxy-2-phenylethanone
SMILESNc1cc(Cl)ccc1C(=O)C(O)c1ccccc1
InChIInChI=1S/C14H12ClNO2/c15-10-6-7-11(12(16)8-10)14(18)13(17)9-4-2-1-3-5-9/h1-8,13,17H,16H2
InChIKeyZPMVEGLQPIUKRO-UHFFFAOYSA-N
MW261.71 g/mol
LogP2.84
Rot. Bonds3

About 1-(2-amino-4-chlorophenyl)-2-hydroxy-2-phenylethanone

1-(2-amino-4-chlorophenyl)-2-hydroxy-2-phenylethanone (PubChem CID 67942436) has the molecular formula C14H12ClNO2 and a molecular weight of 261.71 g/mol. Its IUPAC name is 1-(2-amino-4-chlorophenyl)-2-hydroxy-2-phenylethanone.

Molecular Properties

Compound Name1-(2-amino-4-chlorophenyl)-2-hydroxy-2-phenylethanone
PubChem CID67942436
Molecular FormulaC14H12ClNO2
Molecular Weight261.71 g/mol
Exact Mass261.06
IUPAC Name1-(2-amino-4-chlorophenyl)-2-hydroxy-2-phenylethanone
SMILESNc1cc(Cl)ccc1C(=O)C(O)c1ccccc1
InChIInChI=1S/C14H12ClNO2/c15-10-6-7-11(12(16)8-10)14(18)13(17)9-4-2-1-3-5-9/h1-8,13,17H,16H2
InChIKeyZPMVEGLQPIUKRO-UHFFFAOYSA-N
XLogP2.84
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-chloro-N-(2-hydroxy-2-phenylethyl)benzamide
CID 43498535
2-amino-1-(2-amino-4-chlorophenyl)propan-1-one
CID 105451868
bis(2-amino-4-chlorophenyl)methanone
CID 15130044
1-(2-amino-4-chlorophenyl)-2,2-dimethoxyethanone
CID 21474024
2-amino-4-chloro-N-phenyl-N-propan-2-ylbenzamide
CID 91395635
(2R)-2-amino-1-(4-chloro-2-fluorophenyl)-2-phenylethanone
CID 104891231
1-(2,3-dichlorophenyl)-2-hydroxy-2-phenylethanone
CID 21163872
2-(2-amino-4-chlorophenyl)-2-hydroxyacetic acid
CID 119022800
2-chloro-1-(2,4-dichlorophenyl)-2-phenylethanone
CID 81236882
1-(2-amino-4-chlorophenyl)-3-phenylpropan-1-one
CID 64914807
azanium 2-amino-4-chlorobenzoate
CID 23030471
5-(2-hydroxy-2-phenylacetyl)benzene-1,2,3,4-tetracarboxylic acid
CID 151883431

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-chlorophenyl)-2-hydroxy-2-phenylethanone?
The IUPAC name of 1-(2-amino-4-chlorophenyl)-2-hydroxy-2-phenylethanone (CID 67942436) is 1-(2-amino-4-chlorophenyl)-2-hydroxy-2-phenylethanone.
What is the SMILES notation for 1-(2-amino-4-chlorophenyl)-2-hydroxy-2-phenylethanone?
The canonical SMILES for 1-(2-amino-4-chlorophenyl)-2-hydroxy-2-phenylethanone is Nc1cc(Cl)ccc1C(=O)C(O)c1ccccc1.
What is the InChIKey of 1-(2-amino-4-chlorophenyl)-2-hydroxy-2-phenylethanone?
The InChIKey is ZPMVEGLQPIUKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO2/c15-10-6-7-11(12(16)8-10)14(18)13(17)9-4-2-1-3-5-9/h1-8,13,17H,16H2.
What are the key properties of 1-(2-amino-4-chlorophenyl)-2-hydroxy-2-phenylethanone?
1-(2-amino-4-chlorophenyl)-2-hydroxy-2-phenylethanone has a molecular weight of 261.71 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-chlorophenyl)-2-hydroxy-2-phenylethanone is sourced from PubChem (CID 67942436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).