2-[2-(3,5-dichloro-2-ethoxyphenyl)propyl]cyclopropane-1-carboxylic acid

C15H18Cl2O3 — CID 83941287

IUPAC2-[2-(3,5-dichloro-2-ethoxyphenyl)propyl]cyclopropane-1-carboxylic acid
SMILESCCOc1c(Cl)cc(Cl)cc1C(C)CC1CC1C(=O)O
InChIInChI=1S/C15H18Cl2O3/c1-3-20-14-11(6-10(16)7-13(14)17)8(2)4-9-5-12(9)15(18)19/h6-9,12H,3-5H2,1-2H3,(H,18,19)
InChIKeyYKYMCMFUKCOTJT-UHFFFAOYSA-N
MW317.21 g/mol
LogP4.61
Rot. Bonds6

About 2-[2-(3,5-dichloro-2-ethoxyphenyl)propyl]cyclopropane-1-carboxylic acid

2-[2-(3,5-dichloro-2-ethoxyphenyl)propyl]cyclopropane-1-carboxylic acid (PubChem CID 83941287) has the molecular formula C15H18Cl2O3 and a molecular weight of 317.21 g/mol. Its IUPAC name is 2-[2-(3,5-dichloro-2-ethoxyphenyl)propyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(3,5-dichloro-2-ethoxyphenyl)propyl]cyclopropane-1-carboxylic acid
PubChem CID83941287
Molecular FormulaC15H18Cl2O3
Molecular Weight317.21 g/mol
Exact Mass316.06
IUPAC Name2-[2-(3,5-dichloro-2-ethoxyphenyl)propyl]cyclopropane-1-carboxylic acid
SMILESCCOc1c(Cl)cc(Cl)cc1C(C)CC1CC1C(=O)O
InChIInChI=1S/C15H18Cl2O3/c1-3-20-14-11(6-10(16)7-13(14)17)8(2)4-9-5-12(9)15(18)19/h6-9,12H,3-5H2,1-2H3,(H,18,19)
InChIKeyYKYMCMFUKCOTJT-UHFFFAOYSA-N
XLogP4.61
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.21
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(2-ethoxy-5-fluorophenyl)propyl]cyclopropane-1-carboxylic acid
CID 83944113
2-[2-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]propyl]cyclopropane-1-carboxylic acid
CID 83942402
1,5-dichloro-3-(4-chlorobutan-2-yl)-2-ethoxybenzene
CID 83941177
5-(3,5-dichloro-2-ethoxyphenyl)hexane-2,3-diol
CID 83941281
2-[2-(2,5-difluorophenyl)propyl]cyclopropane-1-carboxylic acid
CID 83936147
2-[2-(2-fluoro-4,5-dimethoxyphenyl)propyl]cyclopropane-1-carboxylic acid
CID 83922808
2-[2-(3,5-dichloro-2-propoxyphenyl)propyl]-3-ethyloxirane
CID 83941372
2-(aminomethyl)-4-(3,5-dichloro-2-ethoxyphenyl)pentan-1-ol
CID 83941192
2-[2-(4-tert-butylphenyl)propyl]cyclopropane-1-carboxylic acid
CID 83928800
methyl 2-[2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)propyl]cyclopropane-1-carboxylate
CID 83922326
6-(3,5-dichloro-2-ethoxyphenyl)octan-3-one
CID 83941200
trans-(1S,2R)-2-(2-methylpropyl)cyclopropane-1-carboxylic acid
CID 94420067

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dichloro-2-ethoxyphenyl)propyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[2-(3,5-dichloro-2-ethoxyphenyl)propyl]cyclopropane-1-carboxylic acid (CID 83941287) is 2-[2-(3,5-dichloro-2-ethoxyphenyl)propyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[2-(3,5-dichloro-2-ethoxyphenyl)propyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[2-(3,5-dichloro-2-ethoxyphenyl)propyl]cyclopropane-1-carboxylic acid is CCOc1c(Cl)cc(Cl)cc1C(C)CC1CC1C(=O)O.
What is the InChIKey of 2-[2-(3,5-dichloro-2-ethoxyphenyl)propyl]cyclopropane-1-carboxylic acid?
The InChIKey is YKYMCMFUKCOTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2O3/c1-3-20-14-11(6-10(16)7-13(14)17)8(2)4-9-5-12(9)15(18)19/h6-9,12H,3-5H2,1-2H3,(H,18,19).
What are the key properties of 2-[2-(3,5-dichloro-2-ethoxyphenyl)propyl]cyclopropane-1-carboxylic acid?
2-[2-(3,5-dichloro-2-ethoxyphenyl)propyl]cyclopropane-1-carboxylic acid has a molecular weight of 317.21 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dichloro-2-ethoxyphenyl)propyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 83941287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).