1-[5-chloro-2-ethoxy-3-(hydroxyamino)-4-methylphenyl]ethanone

C11H14ClNO3 — CID 145307696

IUPAC1-[5-chloro-2-ethoxy-3-(hydroxyamino)-4-methylphenyl]ethanone
SMILESCCOc1c(C(C)=O)cc(Cl)c(C)c1NO
InChIInChI=1S/C11H14ClNO3/c1-4-16-11-8(7(3)14)5-9(12)6(2)10(11)13-15/h5,13,15H,4H2,1-3H3
InChIKeyGSWPZJCQIRNIKH-UHFFFAOYSA-N
MW243.69 g/mol
LogP3.05
Rot. Bonds4

About 1-[5-chloro-2-ethoxy-3-(hydroxyamino)-4-methylphenyl]ethanone

1-[5-chloro-2-ethoxy-3-(hydroxyamino)-4-methylphenyl]ethanone (PubChem CID 145307696) has the molecular formula C11H14ClNO3 and a molecular weight of 243.69 g/mol. Its IUPAC name is 1-[5-chloro-2-ethoxy-3-(hydroxyamino)-4-methylphenyl]ethanone.

Molecular Properties

Compound Name1-[5-chloro-2-ethoxy-3-(hydroxyamino)-4-methylphenyl]ethanone
PubChem CID145307696
Molecular FormulaC11H14ClNO3
Molecular Weight243.69 g/mol
Exact Mass243.07
IUPAC Name1-[5-chloro-2-ethoxy-3-(hydroxyamino)-4-methylphenyl]ethanone
SMILESCCOc1c(C(C)=O)cc(Cl)c(C)c1NO
InChIInChI=1S/C11H14ClNO3/c1-4-16-11-8(7(3)14)5-9(12)6(2)10(11)13-15/h5,13,15H,4H2,1-3H3
InChIKeyGSWPZJCQIRNIKH-UHFFFAOYSA-N
XLogP3.05
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3-bromo-5-chloro-2-ethoxy-4-methylphenyl)ethanone
CID 86677773
1-(5-chloro-2-ethoxy-3-methylphenyl)ethanone
CID 83885927
1-(5-chloro-2-methoxy-3,4-dimethylphenyl)ethanone
CID 83885925
ethyl 5-chloro-2,3,4-triethoxybenzoate
CID 96709826
propan-2-yl 5-chloro-2,3,4-triethoxybenzoate
CID 96709827
4-acetyl-6-chloro-3-ethoxy-2-pyrrolidin-1-ylbenzonitrile
CID 86677838
1-(2,4-dichloro-5-ethoxyphenyl)ethanone
CID 171007863
1-(2-ethoxy-3,5-difluorophenyl)ethanone
CID 83880634
1-(5-chloro-2-ethoxy-3,6-dimethylphenyl)butan-1-one
CID 82266724
5-chloro-2-ethoxy-3,6-dimethylbenzamide
CID 82266739
[1-(3-acetyl-5-chloro-2-ethoxy-6-fluorophenyl)-2-hydroxyethyl] carbamate
CID 89422342
[2-(3-acetyl-5-chloro-2-methoxy-6-methylphenyl)-2-hydroxyethyl]carbamic acid
CID 89420689

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-ethoxy-3-(hydroxyamino)-4-methylphenyl]ethanone?
The IUPAC name of 1-[5-chloro-2-ethoxy-3-(hydroxyamino)-4-methylphenyl]ethanone (CID 145307696) is 1-[5-chloro-2-ethoxy-3-(hydroxyamino)-4-methylphenyl]ethanone.
What is the SMILES notation for 1-[5-chloro-2-ethoxy-3-(hydroxyamino)-4-methylphenyl]ethanone?
The canonical SMILES for 1-[5-chloro-2-ethoxy-3-(hydroxyamino)-4-methylphenyl]ethanone is CCOc1c(C(C)=O)cc(Cl)c(C)c1NO.
What is the InChIKey of 1-[5-chloro-2-ethoxy-3-(hydroxyamino)-4-methylphenyl]ethanone?
The InChIKey is GSWPZJCQIRNIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3/c1-4-16-11-8(7(3)14)5-9(12)6(2)10(11)13-15/h5,13,15H,4H2,1-3H3.
What are the key properties of 1-[5-chloro-2-ethoxy-3-(hydroxyamino)-4-methylphenyl]ethanone?
1-[5-chloro-2-ethoxy-3-(hydroxyamino)-4-methylphenyl]ethanone has a molecular weight of 243.69 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-ethoxy-3-(hydroxyamino)-4-methylphenyl]ethanone is sourced from PubChem (CID 145307696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).