1-(3-chloro-4-cyclopentyloxyphenyl)cyclopentane-1-carboxylic acid

C17H21ClO3 — CID 117493650

IUPAC1-(3-chloro-4-cyclopentyloxyphenyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc(OC3CCCC3)c(Cl)c2)CCCC1
InChIInChI=1S/C17H21ClO3/c18-14-11-12(17(16(19)20)9-3-4-10-17)7-8-15(14)21-13-5-1-2-6-13/h7-8,11,13H,1-6,9-10H2,(H,19,20)
InChIKeyQPAPIGFFPITFAQ-UHFFFAOYSA-N
MW308.80 g/mol
LogP4.56
Rot. Bonds4

About 1-(3-chloro-4-cyclopentyloxyphenyl)cyclopentane-1-carboxylic acid

1-(3-chloro-4-cyclopentyloxyphenyl)cyclopentane-1-carboxylic acid (PubChem CID 117493650) has the molecular formula C17H21ClO3 and a molecular weight of 308.80 g/mol. Its IUPAC name is 1-(3-chloro-4-cyclopentyloxyphenyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-chloro-4-cyclopentyloxyphenyl)cyclopentane-1-carboxylic acid
PubChem CID117493650
Molecular FormulaC17H21ClO3
Molecular Weight308.80 g/mol
Exact Mass308.12
IUPAC Name1-(3-chloro-4-cyclopentyloxyphenyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc(OC3CCCC3)c(Cl)c2)CCCC1
InChIInChI=1S/C17H21ClO3/c18-14-11-12(17(16(19)20)9-3-4-10-17)7-8-15(14)21-13-5-1-2-6-13/h7-8,11,13H,1-6,9-10H2,(H,19,20)
InChIKeyQPAPIGFFPITFAQ-UHFFFAOYSA-N
XLogP4.56
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.80
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 19976886
1-(3-bromo-4-cyclobutyloxyphenyl)cyclopropane-1-carboxylic acid
CID 117495952
2-[1-(3-chloro-4-cyclobutyloxyphenyl)cyclopropyl]acetic acid
CID 117450821
1-(4-cyclopropyloxy-3-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117410191
1-(2-cyclobutyloxyphenyl)cyclopentane-1-carboxylic acid
CID 117405012
2-chloro-1-cyclobutyloxy-4-(1-isocyanatocyclopentyl)benzene
CID 117471227
1-(2-cyclobutyloxy-5-fluorophenyl)cyclohexane-1-carboxylic acid
CID 117472089
1-[3-methoxy-4-(thietan-3-yloxy)phenyl]cyclopentane-1-carboxylic acid
CID 117493404
1-[4-methoxy-3-(thietan-3-yloxy)phenyl]cyclopentane-1-carboxylic acid
CID 117493405
1-(3-chloro-4-cyclopropylsulfanylphenyl)cyclobutane-1-carboxylic acid
CID 117454686
1-(3-chloro-4-methylsulfanylphenyl)cyclopentane-1-carboxylic acid
CID 117430133
1-(2-chlorophenyl)-N-(4-cyclopentyloxy-3-methylphenyl)cyclopentane-1-carboxamide
CID 100666997

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-cyclopentyloxyphenyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(3-chloro-4-cyclopentyloxyphenyl)cyclopentane-1-carboxylic acid (CID 117493650) is 1-(3-chloro-4-cyclopentyloxyphenyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(3-chloro-4-cyclopentyloxyphenyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(3-chloro-4-cyclopentyloxyphenyl)cyclopentane-1-carboxylic acid is O=C(O)C1(c2ccc(OC3CCCC3)c(Cl)c2)CCCC1.
What is the InChIKey of 1-(3-chloro-4-cyclopentyloxyphenyl)cyclopentane-1-carboxylic acid?
The InChIKey is QPAPIGFFPITFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClO3/c18-14-11-12(17(16(19)20)9-3-4-10-17)7-8-15(14)21-13-5-1-2-6-13/h7-8,11,13H,1-6,9-10H2,(H,19,20).
What are the key properties of 1-(3-chloro-4-cyclopentyloxyphenyl)cyclopentane-1-carboxylic acid?
1-(3-chloro-4-cyclopentyloxyphenyl)cyclopentane-1-carboxylic acid has a molecular weight of 308.80 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-cyclopentyloxyphenyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 117493650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).