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

C9H10ClNO2 — CID 84669092

IUPAC2-amino-1-(5-chloro-2-hydroxy-4-methylphenyl)ethanone
SMILESCc1cc(O)c(C(=O)CN)cc1Cl
InChIInChI=1S/C9H10ClNO2/c1-5-2-8(12)6(3-7(5)10)9(13)4-11/h2-3,12H,4,11H2,1H3
InChIKeyVLOCYOIGWRZEAS-UHFFFAOYSA-N
MW199.64 g/mol
LogP1.50
Rot. Bonds2

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

2-amino-1-(5-chloro-2-hydroxy-4-methylphenyl)ethanone (PubChem CID 84669092) has the molecular formula C9H10ClNO2 and a molecular weight of 199.64 g/mol. Its IUPAC name is 2-amino-1-(5-chloro-2-hydroxy-4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(5-chloro-2-hydroxy-4-methylphenyl)ethanone
PubChem CID84669092
Molecular FormulaC9H10ClNO2
Molecular Weight199.64 g/mol
Exact Mass199.04
IUPAC Name2-amino-1-(5-chloro-2-hydroxy-4-methylphenyl)ethanone
SMILESCc1cc(O)c(C(=O)CN)cc1Cl
InChIInChI=1S/C9H10ClNO2/c1-5-2-8(12)6(3-7(5)10)9(13)4-11/h2-3,12H,4,11H2,1H3
InChIKeyVLOCYOIGWRZEAS-UHFFFAOYSA-N
XLogP1.50
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(4-chloro-2,5-dimethylphenyl)ethanone
CID 84774667
2-amino-1-(4-chloro-2-fluoro-5-methylphenyl)ethanone
CID 130953142
2-amino-1-[5-(2-aminoacetyl)-2,4-dihydroxyphenyl]ethanone
CID 170860296
2-amino-1-(2-chloro-5-methylphenyl)ethanone
CID 83696787
2-amino-1-(2-chloro-3,4-dihydroxy-6-methylphenyl)ethanone
CID 117307262
2-amino-1-(3-chloro-4-methylphenyl)ethanone
CID 65179796
2-amino-1-(5-chloro-2-hydroxy-3-methoxy-4-methylphenyl)ethanone
CID 84693050
2-amino-1-(5-tert-butyl-4-hydroxy-2-methylphenyl)ethanone
CID 117316656
4-chloro-5-methylbenzene-1,2-diol
CID 23510503
(2-aminopyrimidin-5-yl)-(5-chloro-2-hydroxy-4-methylphenyl)methanone
CID 13333122
ethyl 2-(5-chloro-4-hydroxy-2-methylphenyl)-2-oxoacetate
CID 117358575
sodium;1-(4,5-dichloro-2-hydroxyphenyl)butane-1,3-dione;hydride
CID 70426712

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-chloro-2-hydroxy-4-methylphenyl)ethanone?
The IUPAC name of 2-amino-1-(5-chloro-2-hydroxy-4-methylphenyl)ethanone (CID 84669092) is 2-amino-1-(5-chloro-2-hydroxy-4-methylphenyl)ethanone.
What is the SMILES notation for 2-amino-1-(5-chloro-2-hydroxy-4-methylphenyl)ethanone?
The canonical SMILES for 2-amino-1-(5-chloro-2-hydroxy-4-methylphenyl)ethanone is Cc1cc(O)c(C(=O)CN)cc1Cl.
What is the InChIKey of 2-amino-1-(5-chloro-2-hydroxy-4-methylphenyl)ethanone?
The InChIKey is VLOCYOIGWRZEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO2/c1-5-2-8(12)6(3-7(5)10)9(13)4-11/h2-3,12H,4,11H2,1H3.
What are the key properties of 2-amino-1-(5-chloro-2-hydroxy-4-methylphenyl)ethanone?
2-amino-1-(5-chloro-2-hydroxy-4-methylphenyl)ethanone has a molecular weight of 199.64 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(5-chloro-2-hydroxy-4-methylphenyl)ethanone is sourced from PubChem (CID 84669092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).