1-(3-chloro-5-ethyl-2-methoxyphenyl)cyclopropane-1-carboxylic acid

C13H15ClO3 — CID 117389834

IUPAC1-(3-chloro-5-ethyl-2-methoxyphenyl)cyclopropane-1-carboxylic acid
SMILESCCc1cc(Cl)c(OC)c(C2(C(=O)O)CC2)c1
InChIInChI=1S/C13H15ClO3/c1-3-8-6-9(11(17-2)10(14)7-8)13(4-5-13)12(15)16/h6-7H,3-5H2,1-2H3,(H,15,16)
InChIKeySFXPIIWOQYGRCY-UHFFFAOYSA-N
MW254.71 g/mol
LogP3.03
Rot. Bonds4

About 1-(3-chloro-5-ethyl-2-methoxyphenyl)cyclopropane-1-carboxylic acid

1-(3-chloro-5-ethyl-2-methoxyphenyl)cyclopropane-1-carboxylic acid (PubChem CID 117389834) has the molecular formula C13H15ClO3 and a molecular weight of 254.71 g/mol. Its IUPAC name is 1-(3-chloro-5-ethyl-2-methoxyphenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-chloro-5-ethyl-2-methoxyphenyl)cyclopropane-1-carboxylic acid
PubChem CID117389834
Molecular FormulaC13H15ClO3
Molecular Weight254.71 g/mol
Exact Mass254.07
IUPAC Name1-(3-chloro-5-ethyl-2-methoxyphenyl)cyclopropane-1-carboxylic acid
SMILESCCc1cc(Cl)c(OC)c(C2(C(=O)O)CC2)c1
InChIInChI=1S/C13H15ClO3/c1-3-8-6-9(11(17-2)10(14)7-8)13(4-5-13)12(15)16/h6-7H,3-5H2,1-2H3,(H,15,16)
InChIKeySFXPIIWOQYGRCY-UHFFFAOYSA-N
XLogP3.03
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.71
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-2-methoxy-5-methylphenyl)cyclohexane-1-carboxylic acid
CID 117454417
1-(5-chloro-2,3-difluoro-4-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 117411320
1-(3-chloro-2-methoxy-5-propan-2-ylphenyl)cyclopentane-1-carboxylic acid
CID 117478165
1-(5-chloro-2,3-dimethoxyphenyl)cyclopropane-1-carboxylic acid
CID 117394916
1-(2-chloro-4,5-dimethoxyphenyl)cyclopropane-1-carboxylic acid
CID 105424298
1-(2,5-diethylphenyl)cyclopropane-1-carboxylic acid
CID 117311145
1-(3-chloro-5-ethyl-2-methoxyphenyl)ethanone
CID 83885932
2-(3-chloro-5-ethyl-2-methoxyphenyl)propanoic acid
CID 83899438
1-(5-chloro-2-ethyl-4-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117425425
1-(5-chloro-2,3-dimethoxy-4-methylphenyl)cyclohexane-1-carboxylic acid
CID 117497845
1-(2-chloro-5-hydroxy-4-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 105425975
1-(3-chloro-4-ethyl-5-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 117389837

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-ethyl-2-methoxyphenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(3-chloro-5-ethyl-2-methoxyphenyl)cyclopropane-1-carboxylic acid (CID 117389834) is 1-(3-chloro-5-ethyl-2-methoxyphenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(3-chloro-5-ethyl-2-methoxyphenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(3-chloro-5-ethyl-2-methoxyphenyl)cyclopropane-1-carboxylic acid is CCc1cc(Cl)c(OC)c(C2(C(=O)O)CC2)c1.
What is the InChIKey of 1-(3-chloro-5-ethyl-2-methoxyphenyl)cyclopropane-1-carboxylic acid?
The InChIKey is SFXPIIWOQYGRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClO3/c1-3-8-6-9(11(17-2)10(14)7-8)13(4-5-13)12(15)16/h6-7H,3-5H2,1-2H3,(H,15,16).
What are the key properties of 1-(3-chloro-5-ethyl-2-methoxyphenyl)cyclopropane-1-carboxylic acid?
1-(3-chloro-5-ethyl-2-methoxyphenyl)cyclopropane-1-carboxylic acid has a molecular weight of 254.71 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-ethyl-2-methoxyphenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 117389834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).