2-amino-1-(3-chloro-2-hydroxy-4-methylphenyl)propan-1-one

C10H12ClNO2 — CID 82613244

IUPAC2-amino-1-(3-chloro-2-hydroxy-4-methylphenyl)propan-1-one
SMILESCc1ccc(C(=O)C(C)N)c(O)c1Cl
InChIInChI=1S/C10H12ClNO2/c1-5-3-4-7(9(13)6(2)12)10(14)8(5)11/h3-4,6,14H,12H2,1-2H3
InChIKeyIJTIOGOYHNOTLM-UHFFFAOYSA-N
MW213.66 g/mol
LogP1.88
Rot. Bonds2

About 2-amino-1-(3-chloro-2-hydroxy-4-methylphenyl)propan-1-one

2-amino-1-(3-chloro-2-hydroxy-4-methylphenyl)propan-1-one (PubChem CID 82613244) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is 2-amino-1-(3-chloro-2-hydroxy-4-methylphenyl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(3-chloro-2-hydroxy-4-methylphenyl)propan-1-one
PubChem CID82613244
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name2-amino-1-(3-chloro-2-hydroxy-4-methylphenyl)propan-1-one
SMILESCc1ccc(C(=O)C(C)N)c(O)c1Cl
InChIInChI=1S/C10H12ClNO2/c1-5-3-4-7(9(13)6(2)12)10(14)8(5)11/h3-4,6,14H,12H2,1-2H3
InChIKeyIJTIOGOYHNOTLM-UHFFFAOYSA-N
XLogP1.88
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-2-hydroxy-4-methylphenyl)-2-oxoacetic acid
CID 117305820
2-amino-1-(3-chloro-2-hydroxy-4,6-dimethylphenyl)propan-1-one
CID 84691466
methyl 3-chloro-2-hydroxy-4-methylbenzoate
CID 131421304
2-amino-1-(3-chloro-4,5-difluoro-2-hydroxyphenyl)propan-1-one
CID 84797727
2-amino-1-(2-chloro-6-fluoro-3-methylphenyl)propan-1-one
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2-amino-1-(2-chloro-6-methoxy-3-methylphenyl)propan-1-one
CID 84791812
2-amino-1-(4-tert-butyl-2-methylphenyl)propan-1-one
CID 82493916
2-amino-1-(3-ethyl-2-hydroxyphenyl)propan-1-one
CID 84664766
2-amino-1-(2-amino-4-chlorophenyl)propan-1-one
CID 105451868
2-chloro-3,6-dimethylphenol;ethane
CID 144511181
2-amino-1-(3-hydroxy-2-methylphenyl)propan-1-one
CID 83827997
2-amino-1-(3-chloro-4-hydroxy-5-methylphenyl)propan-1-one
CID 84679949

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-chloro-2-hydroxy-4-methylphenyl)propan-1-one?
The IUPAC name of 2-amino-1-(3-chloro-2-hydroxy-4-methylphenyl)propan-1-one (CID 82613244) is 2-amino-1-(3-chloro-2-hydroxy-4-methylphenyl)propan-1-one.
What is the SMILES notation for 2-amino-1-(3-chloro-2-hydroxy-4-methylphenyl)propan-1-one?
The canonical SMILES for 2-amino-1-(3-chloro-2-hydroxy-4-methylphenyl)propan-1-one is Cc1ccc(C(=O)C(C)N)c(O)c1Cl.
What is the InChIKey of 2-amino-1-(3-chloro-2-hydroxy-4-methylphenyl)propan-1-one?
The InChIKey is IJTIOGOYHNOTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-5-3-4-7(9(13)6(2)12)10(14)8(5)11/h3-4,6,14H,12H2,1-2H3.
What are the key properties of 2-amino-1-(3-chloro-2-hydroxy-4-methylphenyl)propan-1-one?
2-amino-1-(3-chloro-2-hydroxy-4-methylphenyl)propan-1-one has a molecular weight of 213.66 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-chloro-2-hydroxy-4-methylphenyl)propan-1-one is sourced from PubChem (CID 82613244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).