1-[2-(3-methylphenoxy)ethyl]cyclopentane-1-carboxylic acid

C15H20O3 — CID 82086841

IUPAC1-[2-(3-methylphenoxy)ethyl]cyclopentane-1-carboxylic acid
SMILESCc1cccc(OCCC2(C(=O)O)CCCC2)c1
InChIInChI=1S/C15H20O3/c1-12-5-4-6-13(11-12)18-10-9-15(14(16)17)7-2-3-8-15/h4-6,11H,2-3,7-10H2,1H3,(H,16,17)
InChIKeyNTIKIFPFGHWSFX-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.41
Rot. Bonds5

About 1-[2-(3-methylphenoxy)ethyl]cyclopentane-1-carboxylic acid

1-[2-(3-methylphenoxy)ethyl]cyclopentane-1-carboxylic acid (PubChem CID 82086841) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 1-[2-(3-methylphenoxy)ethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3-methylphenoxy)ethyl]cyclopentane-1-carboxylic acid
PubChem CID82086841
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name1-[2-(3-methylphenoxy)ethyl]cyclopentane-1-carboxylic acid
SMILESCc1cccc(OCCC2(C(=O)O)CCCC2)c1
InChIInChI=1S/C15H20O3/c1-12-5-4-6-13(11-12)18-10-9-15(14(16)17)7-2-3-8-15/h4-6,11H,2-3,7-10H2,1H3,(H,16,17)
InChIKeyNTIKIFPFGHWSFX-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-[3-(3-methylphenoxy)propyl]piperidine-2-carboxylic acid
CID 104598488
2-methyl-1-[2-(3-methylphenoxy)ethyl]cyclopropan-1-ol
CID 79333712
4-methyl-1-[3-(3-methylphenoxy)propyl]piperidine-4-carboxylic acid
CID 63124737
4-(3-methylphenoxy)butanoyl bromide
CID 21330549
4-methyl-1-(2-phenoxyethyl)cyclohexane-1-carboxylic acid
CID 65393665
4-[[5-(3-methylphenoxy)pentanoylamino]methyl]oxane-4-carboxylic acid
CID 120541660
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
4-(2-phenoxyethyl)oxane-4-carboxylic acid
CID 62907146
N-[[1-(aminomethyl)cyclopentyl]methyl]-3-(3-methylphenoxy)propanamide
CID 115365510
1-cyano-N-methyl-N-[2-(3-methylphenoxy)ethyl]cyclopentane-1-carboxamide
CID 134031079
N,N-dimethyl-1-[[[N'-methyl-N-[2-(3-methylphenoxy)ethyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide
CID 111571485
1-(3-methylphenoxy)cyclopropane-1-carboxylic acid
CID 83920700

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylphenoxy)ethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-(3-methylphenoxy)ethyl]cyclopentane-1-carboxylic acid (CID 82086841) is 1-[2-(3-methylphenoxy)ethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(3-methylphenoxy)ethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-(3-methylphenoxy)ethyl]cyclopentane-1-carboxylic acid is Cc1cccc(OCCC2(C(=O)O)CCCC2)c1.
What is the InChIKey of 1-[2-(3-methylphenoxy)ethyl]cyclopentane-1-carboxylic acid?
The InChIKey is NTIKIFPFGHWSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-12-5-4-6-13(11-12)18-10-9-15(14(16)17)7-2-3-8-15/h4-6,11H,2-3,7-10H2,1H3,(H,16,17).
What are the key properties of 1-[2-(3-methylphenoxy)ethyl]cyclopentane-1-carboxylic acid?
1-[2-(3-methylphenoxy)ethyl]cyclopentane-1-carboxylic acid has a molecular weight of 248.32 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylphenoxy)ethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 82086841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).