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

C14H18O4 — CID 82131439

IUPAC1-(2-ethoxyphenoxy)cyclopentane-1-carboxylic acid
SMILESCCOc1ccccc1OC1(C(=O)O)CCCC1
InChIInChI=1S/C14H18O4/c1-2-17-11-7-3-4-8-12(11)18-14(13(15)16)9-5-6-10-14/h3-4,7-8H,2,5-6,9-10H2,1H3,(H,15,16)
InChIKeyQVLOADHFXKDTGH-UHFFFAOYSA-N
MW250.29 g/mol
LogP2.86
Rot. Bonds5

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

1-(2-ethoxyphenoxy)cyclopentane-1-carboxylic acid (PubChem CID 82131439) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is 1-(2-ethoxyphenoxy)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-ethoxyphenoxy)cyclopentane-1-carboxylic acid
PubChem CID82131439
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name1-(2-ethoxyphenoxy)cyclopentane-1-carboxylic acid
SMILESCCOc1ccccc1OC1(C(=O)O)CCCC1
InChIInChI=1S/C14H18O4/c1-2-17-11-7-3-4-8-12(11)18-14(13(15)16)9-5-6-10-14/h3-4,7-8H,2,5-6,9-10H2,1H3,(H,15,16)
InChIKeyQVLOADHFXKDTGH-UHFFFAOYSA-N
XLogP2.86
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxyphenoxy)cyclopentane-1-carboxylic acid
CID 82129517
1-(4-ethoxyphenoxy)cyclohexane-1-carboxylic acid
CID 82133597
2-[1-[(2-ethoxyphenoxy)methyl]cyclopropyl]acetic acid
CID 65498468
1-(2-bromophenoxy)cyclopropane-1-carboxylic acid
CID 130480790
1-(4-ethylphenoxy)cyclopentane-1-carboxylic acid
CID 82129224
4-(2-propan-2-ylphenoxy)oxane-4-carboxylic acid
CID 116821117
1-(5-methyl-2-phenylmethoxyphenoxy)cyclopropane-1-carboxylic acid
CID 154940980
1-(2-ethoxyphenyl)cycloheptan-1-ol
CID 55120332
1-[4-(2-ethoxyphenyl)phenyl]cyclopropane-1-carboxylic acid
CID 169409122
2-(2-ethoxyphenoxy)propanoic acid
CID 16771653
2-(2-ethoxyphenyl)-1-methylcyclopropane-1-carboxylic acid
CID 82114339
1-[2-(2-ethoxyphenoxy)ethyl]cyclooctan-1-amine
CID 80610107

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenoxy)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(2-ethoxyphenoxy)cyclopentane-1-carboxylic acid (CID 82131439) is 1-(2-ethoxyphenoxy)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(2-ethoxyphenoxy)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(2-ethoxyphenoxy)cyclopentane-1-carboxylic acid is CCOc1ccccc1OC1(C(=O)O)CCCC1.
What is the InChIKey of 1-(2-ethoxyphenoxy)cyclopentane-1-carboxylic acid?
The InChIKey is QVLOADHFXKDTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-2-17-11-7-3-4-8-12(11)18-14(13(15)16)9-5-6-10-14/h3-4,7-8H,2,5-6,9-10H2,1H3,(H,15,16).
What are the key properties of 1-(2-ethoxyphenoxy)cyclopentane-1-carboxylic acid?
1-(2-ethoxyphenoxy)cyclopentane-1-carboxylic acid has a molecular weight of 250.29 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenoxy)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 82131439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).