2-(3-propan-2-ylphenoxy)cyclopentane-1-carboxylic acid

C15H20O3 — CID 82239783

IUPAC2-(3-propan-2-ylphenoxy)cyclopentane-1-carboxylic acid
SMILESCC(C)c1cccc(OC2CCCC2C(=O)O)c1
InChIInChI=1S/C15H20O3/c1-10(2)11-5-3-6-12(9-11)18-14-8-4-7-13(14)15(16)17/h3,5-6,9-10,13-14H,4,7-8H2,1-2H3,(H,16,17)
InChIKeyUMPIRBNQMYQFFH-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.44
Rot. Bonds4

About 2-(3-propan-2-ylphenoxy)cyclopentane-1-carboxylic acid

2-(3-propan-2-ylphenoxy)cyclopentane-1-carboxylic acid (PubChem CID 82239783) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 2-(3-propan-2-ylphenoxy)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(3-propan-2-ylphenoxy)cyclopentane-1-carboxylic acid
PubChem CID82239783
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name2-(3-propan-2-ylphenoxy)cyclopentane-1-carboxylic acid
SMILESCC(C)c1cccc(OC2CCCC2C(=O)O)c1
InChIInChI=1S/C15H20O3/c1-10(2)11-5-3-6-12(9-11)18-14-8-4-7-13(14)15(16)17/h3,5-6,9-10,13-14H,4,7-8H2,1-2H3,(H,16,17)
InChIKeyUMPIRBNQMYQFFH-UHFFFAOYSA-N
XLogP3.44
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyloxy-3-propan-2-ylbenzene
CID 140909564
3-(3-propan-2-ylphenoxy)cyclohexan-1-ol
CID 79618801
2-[1-(3-methoxyphenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978075
4-(3-propan-2-ylphenoxy)pyrrolidin-3-ol
CID 63703160
(2R)-2-[3-[1-(3-phenoxyphenyl)ethoxy]phenoxy]cyclopropane-1-carboxylic acid
CID 143583608
4-(3-propan-2-ylphenoxy)oxane
CID 126724587
2-cyclobutyl-2-(3-methoxyphenyl)acetic acid
CID 82024093
2-[(3-propan-2-ylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 64817286
cis-(1R,2S)-2-[[(1S)-1-(3-methoxyphenyl)ethyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 124716099
trans-(1R,2R)-2-[[(1S)-1-(3-methoxyphenyl)ethyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 124716098
cis-(1S,3R)-3-[2-(3-propan-2-ylphenoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 120674983
3-(3-propan-2-ylphenoxy)cyclobutan-1-one
CID 66366168

Frequently Asked Questions

What is the IUPAC name of 2-(3-propan-2-ylphenoxy)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-(3-propan-2-ylphenoxy)cyclopentane-1-carboxylic acid (CID 82239783) is 2-(3-propan-2-ylphenoxy)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(3-propan-2-ylphenoxy)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(3-propan-2-ylphenoxy)cyclopentane-1-carboxylic acid is CC(C)c1cccc(OC2CCCC2C(=O)O)c1.
What is the InChIKey of 2-(3-propan-2-ylphenoxy)cyclopentane-1-carboxylic acid?
The InChIKey is UMPIRBNQMYQFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-10(2)11-5-3-6-12(9-11)18-14-8-4-7-13(14)15(16)17/h3,5-6,9-10,13-14H,4,7-8H2,1-2H3,(H,16,17).
What are the key properties of 2-(3-propan-2-ylphenoxy)cyclopentane-1-carboxylic acid?
2-(3-propan-2-ylphenoxy)cyclopentane-1-carboxylic acid has a molecular weight of 248.32 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propan-2-ylphenoxy)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 82239783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).