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

C13H16O4 — CID 82129517

IUPAC1-(2-methoxyphenoxy)cyclopentane-1-carboxylic acid
SMILESCOc1ccccc1OC1(C(=O)O)CCCC1
InChIInChI=1S/C13H16O4/c1-16-10-6-2-3-7-11(10)17-13(12(14)15)8-4-5-9-13/h2-3,6-7H,4-5,8-9H2,1H3,(H,14,15)
InChIKeySNBXVMADXSSXTG-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.47
Rot. Bonds4

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

1-(2-methoxyphenoxy)cyclopentane-1-carboxylic acid (PubChem CID 82129517) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-(2-methoxyphenoxy)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-methoxyphenoxy)cyclopentane-1-carboxylic acid
PubChem CID82129517
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Name1-(2-methoxyphenoxy)cyclopentane-1-carboxylic acid
SMILESCOc1ccccc1OC1(C(=O)O)CCCC1
InChIInChI=1S/C13H16O4/c1-16-10-6-2-3-7-11(10)17-13(12(14)15)8-4-5-9-13/h2-3,6-7H,4-5,8-9H2,1H3,(H,14,15)
InChIKeySNBXVMADXSSXTG-UHFFFAOYSA-N
XLogP2.47
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethoxyphenoxy)cyclopentane-1-carboxylic acid
CID 82131439
1-[(2R)-2,3-dihydroxypropyl]-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid
CID 96576694
1-(2-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 23151680
1-(3-carbamoyl-2-pyridinyl)-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid
CID 70755771
1-(2-bromophenoxy)cyclopropane-1-carboxylic acid
CID 130480790
1-[[(3R)-1-ethylpiperidin-3-yl]methyl]-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid
CID 96575394
1-[(2-ethylpyrimidin-5-yl)methyl]-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid
CID 70776089
1-(2-bromophenoxy)cyclopentane-1-carboxamide
CID 82134787
1-(2-hydroxy-3-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117344782
4-(2-propan-2-ylphenoxy)oxane-4-carboxylic acid
CID 116821117
[1-(2-methoxyphenyl)cyclopentyl]methanol
CID 83687614
N,N-dimethyl-1-(2-methylphenoxy)cyclopentane-1-carboxamide
CID 59117166

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenoxy)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(2-methoxyphenoxy)cyclopentane-1-carboxylic acid (CID 82129517) is 1-(2-methoxyphenoxy)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(2-methoxyphenoxy)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(2-methoxyphenoxy)cyclopentane-1-carboxylic acid is COc1ccccc1OC1(C(=O)O)CCCC1.
What is the InChIKey of 1-(2-methoxyphenoxy)cyclopentane-1-carboxylic acid?
The InChIKey is SNBXVMADXSSXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O4/c1-16-10-6-2-3-7-11(10)17-13(12(14)15)8-4-5-9-13/h2-3,6-7H,4-5,8-9H2,1H3,(H,14,15).
What are the key properties of 1-(2-methoxyphenoxy)cyclopentane-1-carboxylic acid?
1-(2-methoxyphenoxy)cyclopentane-1-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenoxy)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 82129517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).