1-(5-chloro-2-methoxyphenyl)-2-cyclopropyl-2-ethoxyethanone

C14H17ClO3 — CID 116709215

IUPAC1-(5-chloro-2-methoxyphenyl)-2-cyclopropyl-2-ethoxyethanone
SMILESCCOC(C(=O)c1cc(Cl)ccc1OC)C1CC1
InChIInChI=1S/C14H17ClO3/c1-3-18-14(9-4-5-9)13(16)11-8-10(15)6-7-12(11)17-2/h6-9,14H,3-5H2,1-2H3
InChIKeyVAPPKPMKPXYPJN-UHFFFAOYSA-N
MW268.74 g/mol
LogP3.35
Rot. Bonds6

About 1-(5-chloro-2-methoxyphenyl)-2-cyclopropyl-2-ethoxyethanone

1-(5-chloro-2-methoxyphenyl)-2-cyclopropyl-2-ethoxyethanone (PubChem CID 116709215) has the molecular formula C14H17ClO3 and a molecular weight of 268.74 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-2-cyclopropyl-2-ethoxyethanone.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-2-cyclopropyl-2-ethoxyethanone
PubChem CID116709215
Molecular FormulaC14H17ClO3
Molecular Weight268.74 g/mol
Exact Mass268.09
IUPAC Name1-(5-chloro-2-methoxyphenyl)-2-cyclopropyl-2-ethoxyethanone
SMILESCCOC(C(=O)c1cc(Cl)ccc1OC)C1CC1
InChIInChI=1S/C14H17ClO3/c1-3-18-14(9-4-5-9)13(16)11-8-10(15)6-7-12(11)17-2/h6-9,14H,3-5H2,1-2H3
InChIKeyVAPPKPMKPXYPJN-UHFFFAOYSA-N
XLogP3.35
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-2-cyclohexyl-2-methoxyethanone
CID 116750880
1-(4-chloro-2-fluorophenyl)-2-cyclohexyl-2-ethoxyethanone
CID 116751154
3-amino-1-(5-chloro-2-methoxyphenyl)-3-cyclopropylpropan-1-one
CID 116608850
1-(5-chloro-2-methoxyphenyl)-2,3-dimethylbutan-1-one
CID 104544879
2-bromo-2-chloro-1-(5-chloro-2-methoxyphenyl)ethanone
CID 116863835
(5-chloro-2-methoxyphenyl)-cycloheptylmethanone
CID 65399771
5-chloro-2-methoxybenzoate
CID 6933314
1-(2,5-dimethoxyphenyl)-2-ethoxybutan-1-one
CID 116707667
3-(5-chloro-2-methoxyphenyl)-2-methyl-3-oxopropanenitrile
CID 43157301
1-(3-chlorothiophen-2-yl)-2-cyclopropyl-2-ethoxyethanone
CID 107359451
(5-chloro-2-methoxyphenyl)-(2-ethoxyphenyl)methanone
CID 79020316
5-chloro-N-(2-cyclopentyl-2-hydroxyethyl)-2-methoxybenzamide
CID 111425951

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2-cyclopropyl-2-ethoxyethanone?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2-cyclopropyl-2-ethoxyethanone (CID 116709215) is 1-(5-chloro-2-methoxyphenyl)-2-cyclopropyl-2-ethoxyethanone.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-2-cyclopropyl-2-ethoxyethanone?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-2-cyclopropyl-2-ethoxyethanone is CCOC(C(=O)c1cc(Cl)ccc1OC)C1CC1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-2-cyclopropyl-2-ethoxyethanone?
The InChIKey is VAPPKPMKPXYPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO3/c1-3-18-14(9-4-5-9)13(16)11-8-10(15)6-7-12(11)17-2/h6-9,14H,3-5H2,1-2H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-2-cyclopropyl-2-ethoxyethanone?
1-(5-chloro-2-methoxyphenyl)-2-cyclopropyl-2-ethoxyethanone has a molecular weight of 268.74 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-2-cyclopropyl-2-ethoxyethanone is sourced from PubChem (CID 116709215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).