2-(3,4-dichlorobenzoyl)-1-(2-methoxyethyl)cyclopropane-1-carboxylic acid

C14H14Cl2O4 — CID 142723038

IUPAC2-(3,4-dichlorobenzoyl)-1-(2-methoxyethyl)cyclopropane-1-carboxylic acid
SMILESCOCCC1(C(=O)O)CC1C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H14Cl2O4/c1-20-5-4-14(13(18)19)7-9(14)12(17)8-2-3-10(15)11(16)6-8/h2-3,6,9H,4-5,7H2,1H3,(H,18,19)
InChIKeyRRORKOOIIMGFOE-UHFFFAOYSA-N
MW317.17 g/mol
LogP3.30
Rot. Bonds6

About 2-(3,4-dichlorobenzoyl)-1-(2-methoxyethyl)cyclopropane-1-carboxylic acid

2-(3,4-dichlorobenzoyl)-1-(2-methoxyethyl)cyclopropane-1-carboxylic acid (PubChem CID 142723038) has the molecular formula C14H14Cl2O4 and a molecular weight of 317.17 g/mol. Its IUPAC name is 2-(3,4-dichlorobenzoyl)-1-(2-methoxyethyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(3,4-dichlorobenzoyl)-1-(2-methoxyethyl)cyclopropane-1-carboxylic acid
PubChem CID142723038
Molecular FormulaC14H14Cl2O4
Molecular Weight317.17 g/mol
Exact Mass316.03
IUPAC Name2-(3,4-dichlorobenzoyl)-1-(2-methoxyethyl)cyclopropane-1-carboxylic acid
SMILESCOCCC1(C(=O)O)CC1C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H14Cl2O4/c1-20-5-4-14(13(18)19)7-9(14)12(17)8-2-3-10(15)11(16)6-8/h2-3,6,9H,4-5,7H2,1H3,(H,18,19)
InChIKeyRRORKOOIIMGFOE-UHFFFAOYSA-N
XLogP3.30
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.17
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1S,2S)-2-(3,4-dichlorobenzoyl)-1-methylcyclopropane-1-carboxylic acid
CID 71766497
1-(aminomethyl)-2-(3-chloro-4-methylbenzoyl)cyclopropane-1-carboxylic acid
CID 135297135
1-(3,4-dichlorophenyl)-4-methoxybutan-1-one
CID 65091899
trans-(1S,2S)-1-(4-tert-butylphenyl)-2-(3,4-dichlorobenzoyl)cyclopropane-1-carboxylic acid
CID 174199906
1-(3,4-dichlorophenyl)-5-(2-methoxyethoxy)pentan-1-one
CID 70626550
cyclopropyl-(3,4-dichlorophenyl)methanone
CID 19806646
(3,4-dichlorophenyl)-[(2S)-2,3-dimethylcyclopropyl]methanone
CID 126593158
1-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 108533555
(3,4-dichlorophenyl)-(1-ethoxycycloheptyl)methanone
CID 116750698
cyclobutyl-(3,4-dichlorophenyl)methanone
CID 24724150
(3,4-dichlorophenyl)-(oxiran-2-yl)methanone
CID 116826504
3,4-dichloro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide
CID 115772784

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorobenzoyl)-1-(2-methoxyethyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(3,4-dichlorobenzoyl)-1-(2-methoxyethyl)cyclopropane-1-carboxylic acid (CID 142723038) is 2-(3,4-dichlorobenzoyl)-1-(2-methoxyethyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(3,4-dichlorobenzoyl)-1-(2-methoxyethyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(3,4-dichlorobenzoyl)-1-(2-methoxyethyl)cyclopropane-1-carboxylic acid is COCCC1(C(=O)O)CC1C(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorobenzoyl)-1-(2-methoxyethyl)cyclopropane-1-carboxylic acid?
The InChIKey is RRORKOOIIMGFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2O4/c1-20-5-4-14(13(18)19)7-9(14)12(17)8-2-3-10(15)11(16)6-8/h2-3,6,9H,4-5,7H2,1H3,(H,18,19).
What are the key properties of 2-(3,4-dichlorobenzoyl)-1-(2-methoxyethyl)cyclopropane-1-carboxylic acid?
2-(3,4-dichlorobenzoyl)-1-(2-methoxyethyl)cyclopropane-1-carboxylic acid has a molecular weight of 317.17 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorobenzoyl)-1-(2-methoxyethyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 142723038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).