3-(3-cyclopentyloxyphenyl)-2,2-dimethylpropanoic acid

C16H22O3 — CID 117410573

IUPAC3-(3-cyclopentyloxyphenyl)-2,2-dimethylpropanoic acid
SMILESCC(C)(Cc1cccc(OC2CCCC2)c1)C(=O)O
InChIInChI=1S/C16H22O3/c1-16(2,15(17)18)11-12-6-5-9-14(10-12)19-13-7-3-4-8-13/h5-6,9-10,13H,3-4,7-8,11H2,1-2H3,(H,17,18)
InChIKeyGUFUILHYGUHBIO-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.66
Rot. Bonds5

About 3-(3-cyclopentyloxyphenyl)-2,2-dimethylpropanoic acid

3-(3-cyclopentyloxyphenyl)-2,2-dimethylpropanoic acid (PubChem CID 117410573) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-(3-cyclopentyloxyphenyl)-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-(3-cyclopentyloxyphenyl)-2,2-dimethylpropanoic acid
PubChem CID117410573
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name3-(3-cyclopentyloxyphenyl)-2,2-dimethylpropanoic acid
SMILESCC(C)(Cc1cccc(OC2CCCC2)c1)C(=O)O
InChIInChI=1S/C16H22O3/c1-16(2,15(17)18)11-12-6-5-9-14(10-12)19-13-7-3-4-8-13/h5-6,9-10,13H,3-4,7-8,11H2,1-2H3,(H,17,18)
InChIKeyGUFUILHYGUHBIO-UHFFFAOYSA-N
XLogP3.66
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-3-(3-propan-2-yloxyphenyl)propanoic acid
CID 117345113
3-(3-chloro-4-cyclobutyloxyphenyl)-2,2-dimethylpropanoic acid
CID 117454433
(3-ethylphenoxy)cyclooctane
CID 91220327
N-[(3-cyclohexyloxyphenyl)methyl]-2-methylpropan-2-amine
CID 55148555
2-[(3-cyclopentyloxyphenyl)methylamino]hexanoic acid
CID 120510137
1-[(3-cyclopentyloxyphenyl)methyl]piperidine-2-carboxylic acid
CID 122040362
3-cyclopentyloxy-N-(1,3-dihydroxy-2-methylpropan-2-yl)benzamide
CID 122141053
N-[(3-cyclohexyloxyphenyl)methyl]cyclopentanecarboxamide
CID 86941906
1-(3-cyclopentyloxyphenyl)propan-2-amine;hydrochloride
CID 54592852
2-[3-(3-cyclopentyloxyphenyl)propanoyl-ethylamino]acetic acid
CID 119206123
3-(3-iodophenyl)-2,2-dimethylpropanoic acid
CID 138508187
2,2-dimethyl-3-[3-(2,2,2-trifluoroethyl)phenyl]propanoic acid
CID 117404459

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopentyloxyphenyl)-2,2-dimethylpropanoic acid?
The IUPAC name of 3-(3-cyclopentyloxyphenyl)-2,2-dimethylpropanoic acid (CID 117410573) is 3-(3-cyclopentyloxyphenyl)-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-(3-cyclopentyloxyphenyl)-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-(3-cyclopentyloxyphenyl)-2,2-dimethylpropanoic acid is CC(C)(Cc1cccc(OC2CCCC2)c1)C(=O)O.
What is the InChIKey of 3-(3-cyclopentyloxyphenyl)-2,2-dimethylpropanoic acid?
The InChIKey is GUFUILHYGUHBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-16(2,15(17)18)11-12-6-5-9-14(10-12)19-13-7-3-4-8-13/h5-6,9-10,13H,3-4,7-8,11H2,1-2H3,(H,17,18).
What are the key properties of 3-(3-cyclopentyloxyphenyl)-2,2-dimethylpropanoic acid?
3-(3-cyclopentyloxyphenyl)-2,2-dimethylpropanoic acid has a molecular weight of 262.35 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopentyloxyphenyl)-2,2-dimethylpropanoic acid is sourced from PubChem (CID 117410573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).