1-(4-amino-2-hydroxy-5-methoxyphenyl)ethanone

C9H11NO3 — CID 131302310

IUPAC1-(4-amino-2-hydroxy-5-methoxyphenyl)ethanone
SMILESCOc1cc(C(C)=O)c(O)cc1N
InChIInChI=1S/C9H11NO3/c1-5(11)6-3-9(13-2)7(10)4-8(6)12/h3-4,12H,10H2,1-2H3
InChIKeyFDHSGHRWLOIFQI-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.19
Rot. Bonds2

About 1-(4-amino-2-hydroxy-5-methoxyphenyl)ethanone

1-(4-amino-2-hydroxy-5-methoxyphenyl)ethanone (PubChem CID 131302310) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 1-(4-amino-2-hydroxy-5-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(4-amino-2-hydroxy-5-methoxyphenyl)ethanone
PubChem CID131302310
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name1-(4-amino-2-hydroxy-5-methoxyphenyl)ethanone
SMILESCOc1cc(C(C)=O)c(O)cc1N
InChIInChI=1S/C9H11NO3/c1-5(11)6-3-9(13-2)7(10)4-8(6)12/h3-4,12H,10H2,1-2H3
InChIKeyFDHSGHRWLOIFQI-UHFFFAOYSA-N
XLogP1.19
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-amino-2-chloro-5-methoxyphenyl)ethanone
CID 53402810
1-(2-amino-4,5-dimethoxyphenyl)ethanone;hydrobromide
CID 172866698
methyl 2,5-diamino-4-methoxybenzoate
CID 171030789
N-(5-acetyl-4-hydroxy-2-methoxyphenyl)acetamide
CID 121366040
2-amino-4,5-dihydroxybenzoic acid;2-amino-4,5-dimethoxybenzoic acid
CID 159164706
methyl 2-acetyl-4-hydroxy-5-methoxybenzoate
CID 58345568
5-acetyl-2-amino-4-hydroxybenzonitrile
CID 2786704
1-(2-hydroxy-4-methoxy-5-phenylmethoxyphenyl)ethanone
CID 14235165
1-(2-amino-5-bromo-3-methoxyphenyl)ethanone
CID 118922526
1-(5-amino-2,3-dimethoxyphenyl)ethanone
CID 142498186
1-[2-amino-5-methoxy-4-(2-methoxyethoxy)phenyl]ethanone
CID 10823895
1-(5-amino-2-fluoro-3-methoxyphenyl)ethanone
CID 171018480

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-hydroxy-5-methoxyphenyl)ethanone?
The IUPAC name of 1-(4-amino-2-hydroxy-5-methoxyphenyl)ethanone (CID 131302310) is 1-(4-amino-2-hydroxy-5-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(4-amino-2-hydroxy-5-methoxyphenyl)ethanone?
The canonical SMILES for 1-(4-amino-2-hydroxy-5-methoxyphenyl)ethanone is COc1cc(C(C)=O)c(O)cc1N.
What is the InChIKey of 1-(4-amino-2-hydroxy-5-methoxyphenyl)ethanone?
The InChIKey is FDHSGHRWLOIFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-5(11)6-3-9(13-2)7(10)4-8(6)12/h3-4,12H,10H2,1-2H3.
What are the key properties of 1-(4-amino-2-hydroxy-5-methoxyphenyl)ethanone?
1-(4-amino-2-hydroxy-5-methoxyphenyl)ethanone has a molecular weight of 181.19 g/mol, XLogP of 1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-hydroxy-5-methoxyphenyl)ethanone is sourced from PubChem (CID 131302310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).