2-amino-1-(5-chloro-2-hydroxy-3-methoxy-4-methylphenyl)ethanone

C10H12ClNO3 — CID 84693050

IUPAC2-amino-1-(5-chloro-2-hydroxy-3-methoxy-4-methylphenyl)ethanone
SMILESCOc1c(C)c(Cl)cc(C(=O)CN)c1O
InChIInChI=1S/C10H12ClNO3/c1-5-7(11)3-6(8(13)4-12)9(14)10(5)15-2/h3,14H,4,12H2,1-2H3
InChIKeyNJOAGDWMEVVWSC-UHFFFAOYSA-N
MW229.66 g/mol
LogP1.50
Rot. Bonds3

About 2-amino-1-(5-chloro-2-hydroxy-3-methoxy-4-methylphenyl)ethanone

2-amino-1-(5-chloro-2-hydroxy-3-methoxy-4-methylphenyl)ethanone (PubChem CID 84693050) has the molecular formula C10H12ClNO3 and a molecular weight of 229.66 g/mol. Its IUPAC name is 2-amino-1-(5-chloro-2-hydroxy-3-methoxy-4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(5-chloro-2-hydroxy-3-methoxy-4-methylphenyl)ethanone
PubChem CID84693050
Molecular FormulaC10H12ClNO3
Molecular Weight229.66 g/mol
Exact Mass229.05
IUPAC Name2-amino-1-(5-chloro-2-hydroxy-3-methoxy-4-methylphenyl)ethanone
SMILESCOc1c(C)c(Cl)cc(C(=O)CN)c1O
InChIInChI=1S/C10H12ClNO3/c1-5-7(11)3-6(8(13)4-12)9(14)10(5)15-2/h3,14H,4,12H2,1-2H3
InChIKeyNJOAGDWMEVVWSC-UHFFFAOYSA-N
XLogP1.50
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.66
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(2-hydroxy-5-methoxy-3-methylphenyl)ethanone
CID 84665966
2-amino-1-(5-chloro-2-hydroxy-4-methylphenyl)ethanone
CID 84669092
2-amino-1-(3-chloro-4-methoxy-5-methylphenyl)ethanone
CID 83835408
ethyl 2,5-dichloro-3-hydroxy-4-methoxybenzoate
CID 170855720
2-amino-1-(5-chloro-2-fluoro-4-methoxyphenyl)ethanone
CID 84683219
1-(5-chloro-2-methoxy-3,4-dimethylphenyl)ethanone
CID 83885925
2-amino-1-(4-methoxy-2,3-dimethylphenyl)ethanone
CID 82281637
2-amino-1-(3-bromo-2-methoxy-5-methylphenyl)ethanone
CID 82623539
2-amino-1-(4-chloro-2,5-dimethylphenyl)ethanone
CID 84774667
2-amino-1-(4-methoxy-3,5-dimethylphenyl)ethanone
CID 82401990
2-amino-1-(2-chloro-5-methylphenyl)ethanone
CID 83696787
2-amino-1-(3-chloro-4-methoxy-2,5,6-trimethylphenyl)ethanone
CID 117115546

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-chloro-2-hydroxy-3-methoxy-4-methylphenyl)ethanone?
The IUPAC name of 2-amino-1-(5-chloro-2-hydroxy-3-methoxy-4-methylphenyl)ethanone (CID 84693050) is 2-amino-1-(5-chloro-2-hydroxy-3-methoxy-4-methylphenyl)ethanone.
What is the SMILES notation for 2-amino-1-(5-chloro-2-hydroxy-3-methoxy-4-methylphenyl)ethanone?
The canonical SMILES for 2-amino-1-(5-chloro-2-hydroxy-3-methoxy-4-methylphenyl)ethanone is COc1c(C)c(Cl)cc(C(=O)CN)c1O.
What is the InChIKey of 2-amino-1-(5-chloro-2-hydroxy-3-methoxy-4-methylphenyl)ethanone?
The InChIKey is NJOAGDWMEVVWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO3/c1-5-7(11)3-6(8(13)4-12)9(14)10(5)15-2/h3,14H,4,12H2,1-2H3.
What are the key properties of 2-amino-1-(5-chloro-2-hydroxy-3-methoxy-4-methylphenyl)ethanone?
2-amino-1-(5-chloro-2-hydroxy-3-methoxy-4-methylphenyl)ethanone has a molecular weight of 229.66 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(5-chloro-2-hydroxy-3-methoxy-4-methylphenyl)ethanone is sourced from PubChem (CID 84693050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).