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

C13H15ClO3 — CID 82132012

IUPAC1-[(4-chlorophenoxy)methyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(COc2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C13H15ClO3/c14-10-3-5-11(6-4-10)17-9-13(12(15)16)7-1-2-8-13/h3-6H,1-2,7-9H2,(H,15,16)
InChIKeyDEDVLIVALHKUMB-UHFFFAOYSA-N
MW254.71 g/mol
LogP3.36
Rot. Bonds4

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

1-[(4-chlorophenoxy)methyl]cyclopentane-1-carboxylic acid (PubChem CID 82132012) has the molecular formula C13H15ClO3 and a molecular weight of 254.71 g/mol. Its IUPAC name is 1-[(4-chlorophenoxy)methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-chlorophenoxy)methyl]cyclopentane-1-carboxylic acid
PubChem CID82132012
Molecular FormulaC13H15ClO3
Molecular Weight254.71 g/mol
Exact Mass254.07
IUPAC Name1-[(4-chlorophenoxy)methyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(COc2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C13H15ClO3/c14-10-3-5-11(6-4-10)17-9-13(12(15)16)7-1-2-8-13/h3-6H,1-2,7-9H2,(H,15,16)
InChIKeyDEDVLIVALHKUMB-UHFFFAOYSA-N
XLogP3.36
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.71
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-chlorophenoxy)methyl]cyclohexane-1-carboxylic acid
CID 82134215
1-[(4-methoxyphenoxy)methyl]cyclopentane-1-carboxylic acid
CID 82131438
1-[2-(4-chloroanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 17420083
4-[(4-fluorophenoxy)methyl]oxane-4-carboxylic acid
CID 97033966
1-(4-chlorobenzoyl)-3-[[4-(4-fluorophenyl)phenoxy]methyl]pyrrolidine-3-carboxylic acid
CID 46213255
2-(4-chlorophenoxy)-N-[1-(hydroxymethyl)cyclopropyl]acetamide
CID 115764690
N-[1-(bromomethyl)cyclohexyl]-2-(4-chlorophenoxy)acetamide
CID 114314207
[1-[(4-chlorophenoxy)methyl]cyclopentyl]methanesulfonamide
CID 65002799
1-amino-N-[2-(4-chlorophenoxy)ethyl]cyclopentane-1-carboxamide
CID 119271539
1-[2-(4-ethoxyphenyl)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 58304082
2-[4-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]phenoxy]acetic acid
CID 100665395
bis(2-(4-chlorophenoxy)acetic acid);zinc
CID 11201418

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenoxy)methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(4-chlorophenoxy)methyl]cyclopentane-1-carboxylic acid (CID 82132012) is 1-[(4-chlorophenoxy)methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-chlorophenoxy)methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(4-chlorophenoxy)methyl]cyclopentane-1-carboxylic acid is O=C(O)C1(COc2ccc(Cl)cc2)CCCC1.
What is the InChIKey of 1-[(4-chlorophenoxy)methyl]cyclopentane-1-carboxylic acid?
The InChIKey is DEDVLIVALHKUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClO3/c14-10-3-5-11(6-4-10)17-9-13(12(15)16)7-1-2-8-13/h3-6H,1-2,7-9H2,(H,15,16).
What are the key properties of 1-[(4-chlorophenoxy)methyl]cyclopentane-1-carboxylic acid?
1-[(4-chlorophenoxy)methyl]cyclopentane-1-carboxylic acid has a molecular weight of 254.71 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenoxy)methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 82132012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).