1-[2-(2-hydroxy-2-methylpropyl)phenyl]cyclopentane-1-carboxylic acid

C16H22O3 — CID 117114104

IUPAC1-[2-(2-hydroxy-2-methylpropyl)phenyl]cyclopentane-1-carboxylic acid
SMILESCC(C)(O)Cc1ccccc1C1(C(=O)O)CCCC1
InChIInChI=1S/C16H22O3/c1-15(2,19)11-12-7-3-4-8-13(12)16(14(17)18)9-5-6-10-16/h3-4,7-8,19H,5-6,9-11H2,1-2H3,(H,17,18)
InChIKeySUBJBPFRQUTBED-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.90
Rot. Bonds4

About 1-[2-(2-hydroxy-2-methylpropyl)phenyl]cyclopentane-1-carboxylic acid

1-[2-(2-hydroxy-2-methylpropyl)phenyl]cyclopentane-1-carboxylic acid (PubChem CID 117114104) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-[2-(2-hydroxy-2-methylpropyl)phenyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-hydroxy-2-methylpropyl)phenyl]cyclopentane-1-carboxylic acid
PubChem CID117114104
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name1-[2-(2-hydroxy-2-methylpropyl)phenyl]cyclopentane-1-carboxylic acid
SMILESCC(C)(O)Cc1ccccc1C1(C(=O)O)CCCC1
InChIInChI=1S/C16H22O3/c1-15(2,19)11-12-7-3-4-8-13(12)16(14(17)18)9-5-6-10-16/h3-4,7-8,19H,5-6,9-11H2,1-2H3,(H,17,18)
InChIKeySUBJBPFRQUTBED-UHFFFAOYSA-N
XLogP2.90
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2,2-difluoropropyl)phenyl]cyclohexane-1-carboxylic acid
CID 117453717
1-[2-(2-methylpropyl)phenyl]cyclopropane-1-carboxylic acid
CID 105425261
1-[2-(2-hydroxypropan-2-yl)phenyl]cyclopropane-1-carboxylic acid
CID 117112248
1-[2-(2,2-difluoroethyl)phenyl]cyclobutane-1-carboxylic acid
CID 117352883
1-[2-(1-isocyanatocyclopropyl)phenyl]-2-methylpropan-2-ol
CID 117112481
1-[2-hydroxy-3-(hydroxymethyl)phenyl]cyclopentane-1-carboxylic acid
CID 117344777
1-[4-(2,2-dimethylpropyl)phenyl]cyclopentane-1-carboxylic acid
CID 117405474
1-[2-(dimethylamino)phenyl]cyclopentane-1-carboxylic acid
CID 82620047
1-(2-ethylphenyl)cyclohexane-1-carboxamide
CID 70002174
1-[2-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid
CID 83412138
1-[2-[1-(methoxymethyl)cyclopropyl]phenyl]cyclopentane-1-carboxylic acid
CID 117114147
1-(3-ethyl-4-pyridinyl)cyclopentane-1-carboxylic acid
CID 115008860

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxy-2-methylpropyl)phenyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-(2-hydroxy-2-methylpropyl)phenyl]cyclopentane-1-carboxylic acid (CID 117114104) is 1-[2-(2-hydroxy-2-methylpropyl)phenyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(2-hydroxy-2-methylpropyl)phenyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-(2-hydroxy-2-methylpropyl)phenyl]cyclopentane-1-carboxylic acid is CC(C)(O)Cc1ccccc1C1(C(=O)O)CCCC1.
What is the InChIKey of 1-[2-(2-hydroxy-2-methylpropyl)phenyl]cyclopentane-1-carboxylic acid?
The InChIKey is SUBJBPFRQUTBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-15(2,19)11-12-7-3-4-8-13(12)16(14(17)18)9-5-6-10-16/h3-4,7-8,19H,5-6,9-11H2,1-2H3,(H,17,18).
What are the key properties of 1-[2-(2-hydroxy-2-methylpropyl)phenyl]cyclopentane-1-carboxylic acid?
1-[2-(2-hydroxy-2-methylpropyl)phenyl]cyclopentane-1-carboxylic acid has a molecular weight of 262.35 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxy-2-methylpropyl)phenyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 117114104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).