1-(3-amino-5-chloro-4-hydroxyphenyl)ethanone

C8H8ClNO2 — CID 82105974

IUPAC1-(3-amino-5-chloro-4-hydroxyphenyl)ethanone
SMILESCC(=O)c1cc(N)c(O)c(Cl)c1
InChIInChI=1S/C8H8ClNO2/c1-4(11)5-2-6(9)8(12)7(10)3-5/h2-3,12H,10H2,1H3
InChIKeyWTNJTMBAHPDKQF-UHFFFAOYSA-N
MW185.61 g/mol
LogP1.83
Rot. Bonds1

About 1-(3-amino-5-chloro-4-hydroxyphenyl)ethanone

1-(3-amino-5-chloro-4-hydroxyphenyl)ethanone (PubChem CID 82105974) has the molecular formula C8H8ClNO2 and a molecular weight of 185.61 g/mol. Its IUPAC name is 1-(3-amino-5-chloro-4-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name1-(3-amino-5-chloro-4-hydroxyphenyl)ethanone
PubChem CID82105974
Molecular FormulaC8H8ClNO2
Molecular Weight185.61 g/mol
Exact Mass185.02
IUPAC Name1-(3-amino-5-chloro-4-hydroxyphenyl)ethanone
SMILESCC(=O)c1cc(N)c(O)c(Cl)c1
InChIInChI=1S/C8H8ClNO2/c1-4(11)5-2-6(9)8(12)7(10)3-5/h2-3,12H,10H2,1H3
InChIKeyWTNJTMBAHPDKQF-UHFFFAOYSA-N
XLogP1.83
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.61
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chloro-4-hydroxy-5-methylphenyl)ethanone
CID 679502
1-(3-amino-4-hydroxy-5-iodophenyl)ethanone
CID 171026761
N-(3-amino-5-chloro-4-hydroxyphenyl)acetamide
CID 70464969
1-(3-amino-4,5-dimethylphenyl)ethanone
CID 86160424
1-(4-azido-3,5-dichlorophenyl)ethanone
CID 54201819
2-amino-6-chloro-4-fluorophenol
CID 11275173
3-amino-5-chloro-4-hydroxybenzenesulfonic acid
CID 22133
2-amino-6-chloro-4-propan-2-ylphenol
CID 21209246
methyl (E)-3-(3-amino-5-chloro-4-hydroxyphenyl)prop-2-enoate
CID 70539489
2-amino-6-chloro-4-propylphenol
CID 175267569
1-(4-bromo-3-chloro-5-iodophenyl)ethanone
CID 171001104
5-acetyl-2,3-dichlorobenzonitrile
CID 171007860

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-5-chloro-4-hydroxyphenyl)ethanone?
The IUPAC name of 1-(3-amino-5-chloro-4-hydroxyphenyl)ethanone (CID 82105974) is 1-(3-amino-5-chloro-4-hydroxyphenyl)ethanone.
What is the SMILES notation for 1-(3-amino-5-chloro-4-hydroxyphenyl)ethanone?
The canonical SMILES for 1-(3-amino-5-chloro-4-hydroxyphenyl)ethanone is CC(=O)c1cc(N)c(O)c(Cl)c1.
What is the InChIKey of 1-(3-amino-5-chloro-4-hydroxyphenyl)ethanone?
The InChIKey is WTNJTMBAHPDKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO2/c1-4(11)5-2-6(9)8(12)7(10)3-5/h2-3,12H,10H2,1H3.
What are the key properties of 1-(3-amino-5-chloro-4-hydroxyphenyl)ethanone?
1-(3-amino-5-chloro-4-hydroxyphenyl)ethanone has a molecular weight of 185.61 g/mol, XLogP of 1.83, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-5-chloro-4-hydroxyphenyl)ethanone is sourced from PubChem (CID 82105974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).