3-amino-1-(4-chloro-2-hydroxy-5-methoxyphenyl)propan-1-one

C10H12ClNO3 — CID 117331390

IUPAC3-amino-1-(4-chloro-2-hydroxy-5-methoxyphenyl)propan-1-one
SMILESCOc1cc(C(=O)CCN)c(O)cc1Cl
InChIInChI=1S/C10H12ClNO3/c1-15-10-4-6(8(13)2-3-12)9(14)5-7(10)11/h4-5,14H,2-3,12H2,1H3
InChIKeyREBZYJGFDONQII-UHFFFAOYSA-N
MW229.66 g/mol
LogP1.59
Rot. Bonds4

About 3-amino-1-(4-chloro-2-hydroxy-5-methoxyphenyl)propan-1-one

3-amino-1-(4-chloro-2-hydroxy-5-methoxyphenyl)propan-1-one (PubChem CID 117331390) has the molecular formula C10H12ClNO3 and a molecular weight of 229.66 g/mol. Its IUPAC name is 3-amino-1-(4-chloro-2-hydroxy-5-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(4-chloro-2-hydroxy-5-methoxyphenyl)propan-1-one
PubChem CID117331390
Molecular FormulaC10H12ClNO3
Molecular Weight229.66 g/mol
Exact Mass229.05
IUPAC Name3-amino-1-(4-chloro-2-hydroxy-5-methoxyphenyl)propan-1-one
SMILESCOc1cc(C(=O)CCN)c(O)cc1Cl
InChIInChI=1S/C10H12ClNO3/c1-15-10-4-6(8(13)2-3-12)9(14)5-7(10)11/h4-5,14H,2-3,12H2,1H3
InChIKeyREBZYJGFDONQII-UHFFFAOYSA-N
XLogP1.59
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.66
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-1-(4-chloro-2-hydroxy-5-methoxyphenyl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-1-(4-fluoro-5-hydroxy-2-methoxyphenyl)propan-1-one
CID 117303668
3-amino-1-(5-chloro-2-methoxy-4-methylphenyl)propan-1-one
CID 82288095
3-amino-1-(2-bromo-4-hydroxy-5-methoxyphenyl)propan-1-one
CID 117437436
3-amino-1-(3,5-dichloro-2-methoxyphenyl)propan-1-one
CID 82296158
1-(2,4-dichloro-5-methoxyphenyl)pentan-1-one
CID 83988373
3-amino-1-(5-chloro-3-methoxy-2-methylphenyl)propan-1-one
CID 117327645
2-amino-1-(5-chloro-2-fluoro-4-methoxyphenyl)ethanone
CID 84683219
3-amino-1-(5-chloro-2-methoxy-4-propan-2-ylphenyl)propan-1-one
CID 117392852
3-amino-1-(4,5-difluoro-2-methoxyphenyl)propan-1-one
CID 84783750
2-chloro-4-hydroxy-5-methoxybenzohydrazide
CID 59092222
1-(2,4-dichloro-5-methoxyphenyl)pent-4-en-1-one
CID 146009948
1-(2,5-dichlorophenyl)-4-(2-methoxyphenyl)butane-1,4-dione
CID 90363445

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-chloro-2-hydroxy-5-methoxyphenyl)propan-1-one?
The IUPAC name of 3-amino-1-(4-chloro-2-hydroxy-5-methoxyphenyl)propan-1-one (CID 117331390) is 3-amino-1-(4-chloro-2-hydroxy-5-methoxyphenyl)propan-1-one.
What is the SMILES notation for 3-amino-1-(4-chloro-2-hydroxy-5-methoxyphenyl)propan-1-one?
The canonical SMILES for 3-amino-1-(4-chloro-2-hydroxy-5-methoxyphenyl)propan-1-one is COc1cc(C(=O)CCN)c(O)cc1Cl.
What is the InChIKey of 3-amino-1-(4-chloro-2-hydroxy-5-methoxyphenyl)propan-1-one?
The InChIKey is REBZYJGFDONQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO3/c1-15-10-4-6(8(13)2-3-12)9(14)5-7(10)11/h4-5,14H,2-3,12H2,1H3.
What are the key properties of 3-amino-1-(4-chloro-2-hydroxy-5-methoxyphenyl)propan-1-one?
3-amino-1-(4-chloro-2-hydroxy-5-methoxyphenyl)propan-1-one has a molecular weight of 229.66 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-chloro-2-hydroxy-5-methoxyphenyl)propan-1-one is sourced from PubChem (CID 117331390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).