1-(3,4-diethylphenyl)cyclobutane-1-carboxylic acid

C15H20O2 — CID 117336681

IUPAC1-(3,4-diethylphenyl)cyclobutane-1-carboxylic acid
SMILESCCc1ccc(C2(C(=O)O)CCC2)cc1CC
InChIInChI=1S/C15H20O2/c1-3-11-6-7-13(10-12(11)4-2)15(14(16)17)8-5-9-15/h6-7,10H,3-5,8-9H2,1-2H3,(H,16,17)
InChIKeyYJNIFHLPQSYHIK-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.32
Rot. Bonds4

About 1-(3,4-diethylphenyl)cyclobutane-1-carboxylic acid

1-(3,4-diethylphenyl)cyclobutane-1-carboxylic acid (PubChem CID 117336681) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 1-(3,4-diethylphenyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3,4-diethylphenyl)cyclobutane-1-carboxylic acid
PubChem CID117336681
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name1-(3,4-diethylphenyl)cyclobutane-1-carboxylic acid
SMILESCCc1ccc(C2(C(=O)O)CCC2)cc1CC
InChIInChI=1S/C15H20O2/c1-3-11-6-7-13(10-12(11)4-2)15(14(16)17)8-5-9-15/h6-7,10H,3-5,8-9H2,1-2H3,(H,16,17)
InChIKeyYJNIFHLPQSYHIK-UHFFFAOYSA-N
XLogP3.32
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,4-diethylphenyl)cyclohexane-1-carboxylic acid
CID 117405456
1-[3-[(dimethylamino)methyl]-4-methoxyphenyl]cyclobutane-1-carboxylic acid
CID 117412824
1-(3,4-diethylphenyl)cyclobutan-1-amine
CID 117292089
1-(4-methylphenyl)cyclobutane-1-carboxylic acid
CID 23295038
1-(2-ethyl-1,3-benzothiazol-6-yl)cyclobutane-1-carboxylic acid
CID 117407876
1-(9-ethylcarbazol-3-yl)cyclobutane-1-carboxylic acid
CID 117473482
1-[3-(diethylamino)phenyl]cyclobutane-1-carboxylic acid
CID 117371185
1-(3-fluoro-4-methylsulfanylphenyl)cyclobutane-1-carboxylic acid
CID 84800517
1-(3-fluoro-4-pentan-3-ylphenyl)cyclopentane-1-carboxylic acid
CID 117446490
1-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentane-1-carboxylic acid
CID 117047079
1-(5-bromo-2-ethylphenyl)cyclohexane-1-carboxylic acid
CID 117496068
1-[4-(diethylamino)phenyl]cyclopentane-1-carboxylic acid
CID 117408044

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-diethylphenyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(3,4-diethylphenyl)cyclobutane-1-carboxylic acid (CID 117336681) is 1-(3,4-diethylphenyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(3,4-diethylphenyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(3,4-diethylphenyl)cyclobutane-1-carboxylic acid is CCc1ccc(C2(C(=O)O)CCC2)cc1CC.
What is the InChIKey of 1-(3,4-diethylphenyl)cyclobutane-1-carboxylic acid?
The InChIKey is YJNIFHLPQSYHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-3-11-6-7-13(10-12(11)4-2)15(14(16)17)8-5-9-15/h6-7,10H,3-5,8-9H2,1-2H3,(H,16,17).
What are the key properties of 1-(3,4-diethylphenyl)cyclobutane-1-carboxylic acid?
1-(3,4-diethylphenyl)cyclobutane-1-carboxylic acid has a molecular weight of 232.32 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-diethylphenyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 117336681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).