1-(2,5-diethylphenyl)cyclopropane-1-carboxylic acid

C14H18O2 — CID 117311145

IUPAC1-(2,5-diethylphenyl)cyclopropane-1-carboxylic acid
SMILESCCc1ccc(CC)c(C2(C(=O)O)CC2)c1
InChIInChI=1S/C14H18O2/c1-3-10-5-6-11(4-2)12(9-10)14(7-8-14)13(15)16/h5-6,9H,3-4,7-8H2,1-2H3,(H,15,16)
InChIKeyQWYVEDFGEQSVMZ-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.93
Rot. Bonds4

About 1-(2,5-diethylphenyl)cyclopropane-1-carboxylic acid

1-(2,5-diethylphenyl)cyclopropane-1-carboxylic acid (PubChem CID 117311145) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(2,5-diethylphenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2,5-diethylphenyl)cyclopropane-1-carboxylic acid
PubChem CID117311145
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name1-(2,5-diethylphenyl)cyclopropane-1-carboxylic acid
SMILESCCc1ccc(CC)c(C2(C(=O)O)CC2)c1
InChIInChI=1S/C14H18O2/c1-3-10-5-6-11(4-2)12(9-10)14(7-8-14)13(15)16/h5-6,9H,3-4,7-8H2,1-2H3,(H,15,16)
InChIKeyQWYVEDFGEQSVMZ-UHFFFAOYSA-N
XLogP2.93
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-bromo-2-ethylphenyl)cyclohexane-1-carboxylic acid
CID 117496068
1-(5-ethyl-2-propan-2-ylphenyl)cyclohexane-1-carboxylic acid
CID 117438769
1-(3-chloro-5-ethyl-2-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 117389834
1-(5-ethyl-2,4-difluorophenyl)cyclopropane-1-carboxylic acid
CID 117324946
1-(5-ethyl-2,3-dimethylphenyl)cyclohexane-1-carboxylic acid
CID 117405451
4-ethyl-2-(1-hydroxycyclopropyl)phenol
CID 117277828
1-[2-fluoro-5-(methoxymethyl)phenyl]cyclopropane-1-carboxylic acid
CID 117321555
1-(5-bromo-3-ethyl-2-hydroxyphenyl)cyclopropane-1-carboxylic acid
CID 117458815
1-(3,4-diethylphenyl)cyclobutane-1-carboxylic acid
CID 117336681
1-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclobutane-1-carboxylic acid
CID 117410193
1-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxylic acid
CID 117442420
1-(2-ethyl-3-pyridinyl)cyclopropane-1-carboxylic acid
CID 130055276

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-diethylphenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(2,5-diethylphenyl)cyclopropane-1-carboxylic acid (CID 117311145) is 1-(2,5-diethylphenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(2,5-diethylphenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(2,5-diethylphenyl)cyclopropane-1-carboxylic acid is CCc1ccc(CC)c(C2(C(=O)O)CC2)c1.
What is the InChIKey of 1-(2,5-diethylphenyl)cyclopropane-1-carboxylic acid?
The InChIKey is QWYVEDFGEQSVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-3-10-5-6-11(4-2)12(9-10)14(7-8-14)13(15)16/h5-6,9H,3-4,7-8H2,1-2H3,(H,15,16).
What are the key properties of 1-(2,5-diethylphenyl)cyclopropane-1-carboxylic acid?
1-(2,5-diethylphenyl)cyclopropane-1-carboxylic acid has a molecular weight of 218.30 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-diethylphenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 117311145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).