1-(3-cyclopentylphenyl)cyclobutane-1-carboxylic acid

C16H20O2 — CID 117362913

IUPAC1-(3-cyclopentylphenyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(c2cccc(C3CCCC3)c2)CCC1
InChIInChI=1S/C16H20O2/c17-15(18)16(9-4-10-16)14-8-3-7-13(11-14)12-5-1-2-6-12/h3,7-8,11-12H,1-2,4-6,9-10H2,(H,17,18)
InChIKeyJJXRQHZOWBQPJL-UHFFFAOYSA-N
MW244.33 g/mol
LogP3.85
Rot. Bonds3

About 1-(3-cyclopentylphenyl)cyclobutane-1-carboxylic acid

1-(3-cyclopentylphenyl)cyclobutane-1-carboxylic acid (PubChem CID 117362913) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is 1-(3-cyclopentylphenyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-cyclopentylphenyl)cyclobutane-1-carboxylic acid
PubChem CID117362913
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name1-(3-cyclopentylphenyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(c2cccc(C3CCCC3)c2)CCC1
InChIInChI=1S/C16H20O2/c17-15(18)16(9-4-10-16)14-8-3-7-13(11-14)12-5-1-2-6-12/h3,7-8,11-12H,1-2,4-6,9-10H2,(H,17,18)
InChIKeyJJXRQHZOWBQPJL-UHFFFAOYSA-N
XLogP3.85
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-cycloheptylphenyl)cyclopropane-1-carboxylic acid
CID 117399711
1-[3-(oxan-4-yl)phenyl]cyclobutane-1-carboxylic acid
CID 117405075
1-(3-pyrrolidin-3-ylphenyl)cyclopropane-1-carboxylic acid
CID 84794422
1-[3-(1-methylpyrrolidin-3-yl)phenyl]cyclopentane-1-carboxylic acid
CID 117436357
1-(4-cycloheptylphenyl)cyclopentane-1-carboxylic acid
CID 117462129
1-(3-bromophenyl)cyclobutane-1-carboxylic acid
CID 16769973
1,3-dicyclohexylbenzene;hydrogen peroxide
CID 88772360
1-(2-cyclohexylphenyl)cyclobutane-1-carboxylic acid
CID 117399697
1-(3-iodophenyl)cyclopentane-1-carboxylic acid
CID 117047003
1-(3-cycloheptylphenyl)cyclopentan-1-amine
CID 117397299
[3-(1-isocyanatocyclobutyl)phenyl]cycloheptane
CID 117426969
1-(2-cyclohexylphenyl)cyclopropane-1-carboxylic acid
CID 117362895

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopentylphenyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(3-cyclopentylphenyl)cyclobutane-1-carboxylic acid (CID 117362913) is 1-(3-cyclopentylphenyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(3-cyclopentylphenyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(3-cyclopentylphenyl)cyclobutane-1-carboxylic acid is O=C(O)C1(c2cccc(C3CCCC3)c2)CCC1.
What is the InChIKey of 1-(3-cyclopentylphenyl)cyclobutane-1-carboxylic acid?
The InChIKey is JJXRQHZOWBQPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2/c17-15(18)16(9-4-10-16)14-8-3-7-13(11-14)12-5-1-2-6-12/h3,7-8,11-12H,1-2,4-6,9-10H2,(H,17,18).
What are the key properties of 1-(3-cyclopentylphenyl)cyclobutane-1-carboxylic acid?
1-(3-cyclopentylphenyl)cyclobutane-1-carboxylic acid has a molecular weight of 244.33 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopentylphenyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 117362913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).