1-[(4-methoxyphenoxy)methyl]cyclopentane-1-carboxylic acid

C14H18O4 — CID 82131438

IUPAC1-[(4-methoxyphenoxy)methyl]cyclopentane-1-carboxylic acid
SMILESCOc1ccc(OCC2(C(=O)O)CCCC2)cc1
InChIInChI=1S/C14H18O4/c1-17-11-4-6-12(7-5-11)18-10-14(13(15)16)8-2-3-9-14/h4-7H,2-3,8-10H2,1H3,(H,15,16)
InChIKeyLZHRKWOJTCBBPT-UHFFFAOYSA-N
MW250.29 g/mol
LogP2.72
Rot. Bonds5

About 1-[(4-methoxyphenoxy)methyl]cyclopentane-1-carboxylic acid

1-[(4-methoxyphenoxy)methyl]cyclopentane-1-carboxylic acid (PubChem CID 82131438) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is 1-[(4-methoxyphenoxy)methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-methoxyphenoxy)methyl]cyclopentane-1-carboxylic acid
PubChem CID82131438
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name1-[(4-methoxyphenoxy)methyl]cyclopentane-1-carboxylic acid
SMILESCOc1ccc(OCC2(C(=O)O)CCCC2)cc1
InChIInChI=1S/C14H18O4/c1-17-11-4-6-12(7-5-11)18-10-14(13(15)16)8-2-3-9-14/h4-7H,2-3,8-10H2,1H3,(H,15,16)
InChIKeyLZHRKWOJTCBBPT-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-chlorophenoxy)methyl]cyclopentane-1-carboxylic acid
CID 82132012
1-[(4-chlorophenoxy)methyl]cyclohexane-1-carboxylic acid
CID 82134215
1-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxylic acid
CID 22660130
1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 43396506
1-[[2-(4-methoxyphenoxy)acetyl]amino]cycloheptane-1-carboxylic acid
CID 120538622
1-[[(4-methoxyphenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433087
1-[[2-(4-methoxyphenoxy)acetyl]amino]cyclobutane-1-carboxylic acid
CID 81158031
4-[(4-fluorophenoxy)methyl]oxane-4-carboxylic acid
CID 97033966
N-[1-(hydroxymethyl)cyclopentyl]-3-(4-methoxyphenoxy)propanamide
CID 62519503
[1-[(4-methoxyphenoxy)methyl]cyclopentyl]methanamine
CID 94686563
1-[2-(4-ethoxyphenyl)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 58304082
1-[(3-methoxyphenyl)methyl]cyclooctane-1-carboxylic acid
CID 80611133

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenoxy)methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(4-methoxyphenoxy)methyl]cyclopentane-1-carboxylic acid (CID 82131438) is 1-[(4-methoxyphenoxy)methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-methoxyphenoxy)methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(4-methoxyphenoxy)methyl]cyclopentane-1-carboxylic acid is COc1ccc(OCC2(C(=O)O)CCCC2)cc1.
What is the InChIKey of 1-[(4-methoxyphenoxy)methyl]cyclopentane-1-carboxylic acid?
The InChIKey is LZHRKWOJTCBBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-17-11-4-6-12(7-5-11)18-10-14(13(15)16)8-2-3-9-14/h4-7H,2-3,8-10H2,1H3,(H,15,16).
What are the key properties of 1-[(4-methoxyphenoxy)methyl]cyclopentane-1-carboxylic acid?
1-[(4-methoxyphenoxy)methyl]cyclopentane-1-carboxylic acid has a molecular weight of 250.29 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenoxy)methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 82131438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).