3-amino-1-(6-chloro-3-hydroxy-2-methoxyphenyl)propan-1-one

C10H12ClNO3 — CID 117331388

IUPAC3-amino-1-(6-chloro-3-hydroxy-2-methoxyphenyl)propan-1-one
SMILESCOc1c(O)ccc(Cl)c1C(=O)CCN
InChIInChI=1S/C10H12ClNO3/c1-15-10-8(14)3-2-6(11)9(10)7(13)4-5-12/h2-3,14H,4-5,12H2,1H3
InChIKeyZSLVDMCFCYWTHA-UHFFFAOYSA-N
MW229.66 g/mol
LogP1.59
Rot. Bonds4

About 3-amino-1-(6-chloro-3-hydroxy-2-methoxyphenyl)propan-1-one

3-amino-1-(6-chloro-3-hydroxy-2-methoxyphenyl)propan-1-one (PubChem CID 117331388) has the molecular formula C10H12ClNO3 and a molecular weight of 229.66 g/mol. Its IUPAC name is 3-amino-1-(6-chloro-3-hydroxy-2-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(6-chloro-3-hydroxy-2-methoxyphenyl)propan-1-one
PubChem CID117331388
Molecular FormulaC10H12ClNO3
Molecular Weight229.66 g/mol
Exact Mass229.05
IUPAC Name3-amino-1-(6-chloro-3-hydroxy-2-methoxyphenyl)propan-1-one
SMILESCOc1c(O)ccc(Cl)c1C(=O)CCN
InChIInChI=1S/C10H12ClNO3/c1-15-10-8(14)3-2-6(11)9(10)7(13)4-5-12/h2-3,14H,4-5,12H2,1H3
InChIKeyZSLVDMCFCYWTHA-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

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Related Compounds

6-chloro-3-hydroxy-2-methoxybenzoic acid
CID 117291132
3-amino-1-(6-chloro-2,3,4-trimethoxyphenyl)propan-1-one
CID 117436956
1-(3,6-dichloro-2-methoxyphenyl)propan-1-one
CID 123946716
3-amino-1-(3,5-dichloro-2-methoxyphenyl)propan-1-one
CID 82296158
2-aminoethyl 3,6-dichloro-2-methoxybenzoate;hydrochloride
CID 169177858
3-amino-1-(4-chloro-2-hydroxy-5-methoxyphenyl)propan-1-one
CID 117331390
1-(2-chloro-6-hydroxyphenyl)butan-1-one
CID 130034391
lithium [3-(2-chloro-6-methoxyphenyl)-3-oxopropyl]phosphanide
CID 141023114
3-amino-1-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)propan-1-one
CID 117377360
3-amino-1-(3-chloro-4-fluoro-2-methoxyphenyl)propan-1-one
CID 117335331
3-amino-1-(3-chloro-5-fluoro-2-methoxyphenyl)propan-1-one
CID 84794927
CID 159993809
CID 159993809

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(6-chloro-3-hydroxy-2-methoxyphenyl)propan-1-one?
The IUPAC name of 3-amino-1-(6-chloro-3-hydroxy-2-methoxyphenyl)propan-1-one (CID 117331388) is 3-amino-1-(6-chloro-3-hydroxy-2-methoxyphenyl)propan-1-one.
What is the SMILES notation for 3-amino-1-(6-chloro-3-hydroxy-2-methoxyphenyl)propan-1-one?
The canonical SMILES for 3-amino-1-(6-chloro-3-hydroxy-2-methoxyphenyl)propan-1-one is COc1c(O)ccc(Cl)c1C(=O)CCN.
What is the InChIKey of 3-amino-1-(6-chloro-3-hydroxy-2-methoxyphenyl)propan-1-one?
The InChIKey is ZSLVDMCFCYWTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO3/c1-15-10-8(14)3-2-6(11)9(10)7(13)4-5-12/h2-3,14H,4-5,12H2,1H3.
What are the key properties of 3-amino-1-(6-chloro-3-hydroxy-2-methoxyphenyl)propan-1-one?
3-amino-1-(6-chloro-3-hydroxy-2-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-(6-chloro-3-hydroxy-2-methoxyphenyl)propan-1-one is sourced from PubChem (CID 117331388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).