1-(5-chloro-2-ethyl-4-methoxyphenyl)cyclobutane-1-carboxylic acid

C14H17ClO3 — CID 117425425

IUPAC1-(5-chloro-2-ethyl-4-methoxyphenyl)cyclobutane-1-carboxylic acid
SMILESCCc1cc(OC)c(Cl)cc1C1(C(=O)O)CCC1
InChIInChI=1S/C14H17ClO3/c1-3-9-7-12(18-2)11(15)8-10(9)14(13(16)17)5-4-6-14/h7-8H,3-6H2,1-2H3,(H,16,17)
InChIKeyOWNFWVCHIJCLSH-UHFFFAOYSA-N
MW268.74 g/mol
LogP3.42
Rot. Bonds4

About 1-(5-chloro-2-ethyl-4-methoxyphenyl)cyclobutane-1-carboxylic acid

1-(5-chloro-2-ethyl-4-methoxyphenyl)cyclobutane-1-carboxylic acid (PubChem CID 117425425) has the molecular formula C14H17ClO3 and a molecular weight of 268.74 g/mol. Its IUPAC name is 1-(5-chloro-2-ethyl-4-methoxyphenyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(5-chloro-2-ethyl-4-methoxyphenyl)cyclobutane-1-carboxylic acid
PubChem CID117425425
Molecular FormulaC14H17ClO3
Molecular Weight268.74 g/mol
Exact Mass268.09
IUPAC Name1-(5-chloro-2-ethyl-4-methoxyphenyl)cyclobutane-1-carboxylic acid
SMILESCCc1cc(OC)c(Cl)cc1C1(C(=O)O)CCC1
InChIInChI=1S/C14H17ClO3/c1-3-9-7-12(18-2)11(15)8-10(9)14(13(16)17)5-4-6-14/h7-8H,3-6H2,1-2H3,(H,16,17)
InChIKeyOWNFWVCHIJCLSH-UHFFFAOYSA-N
XLogP3.42
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2-hydroxy-4-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117394985
1-(2,5-dichloro-4-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117466952
1-(2-chloro-3-ethyl-6-hydroxy-5-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117458250
1-(5-chloro-2-ethyl-4-methoxyphenyl)cyclopentan-1-amine
CID 117388014
1-(5-chloro-2-ethyl-3-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117454527
1-(5-chloro-2-methoxy-4-methylphenyl)cyclohexane-1-carboxylic acid
CID 117454399
1-(2-chloro-4,5-dimethoxyphenyl)cyclopropane-1-carboxylic acid
CID 105424298
1-(2,3-dimethoxy-5-methylphenyl)cyclobutane-1-carboxylic acid
CID 117379031
2-(5-chloro-2-ethyl-4-methoxyphenyl)-2-oxoacetic acid
CID 117358488
1-(2,5-dichloro-3-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117466954
1-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclobutane-1-carboxylic acid
CID 117410193
1-(2-chloro-5-cyclobutyloxy-4-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117495558

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-ethyl-4-methoxyphenyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(5-chloro-2-ethyl-4-methoxyphenyl)cyclobutane-1-carboxylic acid (CID 117425425) is 1-(5-chloro-2-ethyl-4-methoxyphenyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(5-chloro-2-ethyl-4-methoxyphenyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(5-chloro-2-ethyl-4-methoxyphenyl)cyclobutane-1-carboxylic acid is CCc1cc(OC)c(Cl)cc1C1(C(=O)O)CCC1.
What is the InChIKey of 1-(5-chloro-2-ethyl-4-methoxyphenyl)cyclobutane-1-carboxylic acid?
The InChIKey is OWNFWVCHIJCLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO3/c1-3-9-7-12(18-2)11(15)8-10(9)14(13(16)17)5-4-6-14/h7-8H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 1-(5-chloro-2-ethyl-4-methoxyphenyl)cyclobutane-1-carboxylic acid?
1-(5-chloro-2-ethyl-4-methoxyphenyl)cyclobutane-1-carboxylic acid has a molecular weight of 268.74 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-ethyl-4-methoxyphenyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 117425425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).