2-(2-propoxyphenyl)cyclopentane-1-carboxylic acid

C15H20O3 — CID 104663378

IUPAC2-(2-propoxyphenyl)cyclopentane-1-carboxylic acid
SMILESCCCOc1ccccc1C1CCCC1C(=O)O
InChIInChI=1S/C15H20O3/c1-2-10-18-14-9-4-3-6-12(14)11-7-5-8-13(11)15(16)17/h3-4,6,9,11,13H,2,5,7-8,10H2,1H3,(H,16,17)
InChIKeyDFZQCVKORPDSKJ-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.44
Rot. Bonds5

About 2-(2-propoxyphenyl)cyclopentane-1-carboxylic acid

2-(2-propoxyphenyl)cyclopentane-1-carboxylic acid (PubChem CID 104663378) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 2-(2-propoxyphenyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-propoxyphenyl)cyclopentane-1-carboxylic acid
PubChem CID104663378
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name2-(2-propoxyphenyl)cyclopentane-1-carboxylic acid
SMILESCCCOc1ccccc1C1CCCC1C(=O)O
InChIInChI=1S/C15H20O3/c1-2-10-18-14-9-4-3-6-12(14)11-7-5-8-13(11)15(16)17/h3-4,6,9,11,13H,2,5,7-8,10H2,1H3,(H,16,17)
InChIKeyDFZQCVKORPDSKJ-UHFFFAOYSA-N
XLogP3.44
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

2-(2-ethoxyphenyl)cyclohexane-1-carboxylic acid
CID 81008651
1-[(1S)-2-(2-propoxyphenyl)cyclopropyl]ethanone
CID 43828941
1-chloro-2-(2-propoxyphenyl)cycloheptane
CID 104662441
2-(2-propoxyphenyl)-N-propylcyclopentan-1-amine
CID 104662479
2-(2-ethoxyphenyl)cyclopentan-1-ol
CID 62801074
2-[2-(2-methoxyethoxy)phenyl]cyclohexan-1-ol
CID 104662423
2-methyl-N-[[2-(2-propoxyphenyl)cyclopentyl]methyl]propan-1-amine
CID 104663485
[(1S,2R)-2-(2-butoxyphenyl)cyclohexyl] hexanoate
CID 57282883
N-ethyl-2-methyl-3-(2-propoxyphenyl)cyclopentan-1-amine
CID 104662798
[(1R,2S)-2-(2-butoxyphenyl)cyclohexyl] dodecanoate
CID 54319195
N-methyl-3-(2-propoxyphenyl)cyclohexan-1-amine
CID 113438529
N-[[2-[2-(2-methoxyethoxy)phenyl]cyclopentyl]methyl]propan-1-amine
CID 104663479

Frequently Asked Questions

What is the IUPAC name of 2-(2-propoxyphenyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-(2-propoxyphenyl)cyclopentane-1-carboxylic acid (CID 104663378) is 2-(2-propoxyphenyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(2-propoxyphenyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(2-propoxyphenyl)cyclopentane-1-carboxylic acid is CCCOc1ccccc1C1CCCC1C(=O)O.
What is the InChIKey of 2-(2-propoxyphenyl)cyclopentane-1-carboxylic acid?
The InChIKey is DFZQCVKORPDSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-2-10-18-14-9-4-3-6-12(14)11-7-5-8-13(11)15(16)17/h3-4,6,9,11,13H,2,5,7-8,10H2,1H3,(H,16,17).
What are the key properties of 2-(2-propoxyphenyl)cyclopentane-1-carboxylic acid?
2-(2-propoxyphenyl)cyclopentane-1-carboxylic acid has a molecular weight of 248.32 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propoxyphenyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 104663378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).