1-(4-cycloheptylphenyl)cyclopentane-1-carboxylic acid

C19H26O2 — CID 117462129

IUPAC1-(4-cycloheptylphenyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc(C3CCCCCC3)cc2)CCCC1
InChIInChI=1S/C19H26O2/c20-18(21)19(13-5-6-14-19)17-11-9-16(10-12-17)15-7-3-1-2-4-8-15/h9-12,15H,1-8,13-14H2,(H,20,21)
InChIKeyBNHQTFFATLAPNI-UHFFFAOYSA-N
MW286.41 g/mol
LogP5.02
Rot. Bonds3

About 1-(4-cycloheptylphenyl)cyclopentane-1-carboxylic acid

1-(4-cycloheptylphenyl)cyclopentane-1-carboxylic acid (PubChem CID 117462129) has the molecular formula C19H26O2 and a molecular weight of 286.41 g/mol. Its IUPAC name is 1-(4-cycloheptylphenyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(4-cycloheptylphenyl)cyclopentane-1-carboxylic acid
PubChem CID117462129
Molecular FormulaC19H26O2
Molecular Weight286.41 g/mol
Exact Mass286.19
IUPAC Name1-(4-cycloheptylphenyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc(C3CCCCCC3)cc2)CCCC1
InChIInChI=1S/C19H26O2/c20-18(21)19(13-5-6-14-19)17-11-9-16(10-12-17)15-7-3-1-2-4-8-15/h9-12,15H,1-8,13-14H2,(H,20,21)
InChIKeyBNHQTFFATLAPNI-UHFFFAOYSA-N
XLogP5.02
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.41
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(1-methylpiperidin-4-yl)phenyl]cyclopentane-1-carboxylic acid
CID 117463978
1-[4-(oxolan-3-yl)phenyl]cyclopentane-1-carboxylic acid
CID 117405018
1-(4-piperidin-3-ylphenyl)cyclopropane-1-carboxylic acid
CID 116988322
1-(3-cyclopentylphenyl)cyclobutane-1-carboxylic acid
CID 117362913
1-(3-cycloheptylphenyl)cyclopropane-1-carboxylic acid
CID 117399711
1-[3-(4-cyclohexylphenyl)oxetan-3-yl]ethanone
CID 116873703
1-(4-cyclopropylsulfanylphenyl)cyclopentane-1-carboxylic acid
CID 117410996
1-(2-cyclohexylphenyl)cyclopropane-1-carboxylic acid
CID 117362895
1-(2-cyclohexylphenyl)cyclobutane-1-carboxylic acid
CID 117399697
1-(4-cyclopentylphenyl)cyclohexan-1-amine
CID 117360957
1-(2-cyclobutylphenyl)cyclopentane-1-carboxylic acid
CID 117362898
1-cyclohexyl-4-(4-cyclohexylphenyl)benzene;hydrogen peroxide
CID 175051125

Frequently Asked Questions

What is the IUPAC name of 1-(4-cycloheptylphenyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(4-cycloheptylphenyl)cyclopentane-1-carboxylic acid (CID 117462129) is 1-(4-cycloheptylphenyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(4-cycloheptylphenyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(4-cycloheptylphenyl)cyclopentane-1-carboxylic acid is O=C(O)C1(c2ccc(C3CCCCCC3)cc2)CCCC1.
What is the InChIKey of 1-(4-cycloheptylphenyl)cyclopentane-1-carboxylic acid?
The InChIKey is BNHQTFFATLAPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O2/c20-18(21)19(13-5-6-14-19)17-11-9-16(10-12-17)15-7-3-1-2-4-8-15/h9-12,15H,1-8,13-14H2,(H,20,21).
What are the key properties of 1-(4-cycloheptylphenyl)cyclopentane-1-carboxylic acid?
1-(4-cycloheptylphenyl)cyclopentane-1-carboxylic acid has a molecular weight of 286.41 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cycloheptylphenyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 117462129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).