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

C14H17ClO3 — CID 82134215

IUPAC1-[(4-chlorophenoxy)methyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(COc2ccc(Cl)cc2)CCCCC1
InChIInChI=1S/C14H17ClO3/c15-11-4-6-12(7-5-11)18-10-14(13(16)17)8-2-1-3-9-14/h4-7H,1-3,8-10H2,(H,16,17)
InChIKeyOXNJQSFRIGHBMB-UHFFFAOYSA-N
MW268.74 g/mol
LogP3.75
Rot. Bonds4

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

1-[(4-chlorophenoxy)methyl]cyclohexane-1-carboxylic acid (PubChem CID 82134215) has the molecular formula C14H17ClO3 and a molecular weight of 268.74 g/mol. Its IUPAC name is 1-[(4-chlorophenoxy)methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-chlorophenoxy)methyl]cyclohexane-1-carboxylic acid
PubChem CID82134215
Molecular FormulaC14H17ClO3
Molecular Weight268.74 g/mol
Exact Mass268.09
IUPAC Name1-[(4-chlorophenoxy)methyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(COc2ccc(Cl)cc2)CCCCC1
InChIInChI=1S/C14H17ClO3/c15-11-4-6-12(7-5-11)18-10-14(13(16)17)8-2-1-3-9-14/h4-7H,1-3,8-10H2,(H,16,17)
InChIKeyOXNJQSFRIGHBMB-UHFFFAOYSA-N
XLogP3.75
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-chlorophenoxy)methyl]cyclopentane-1-carboxylic acid
CID 82132012
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
N-[1-(bromomethyl)cyclohexyl]-2-(4-chlorophenoxy)acetamide
CID 114314207
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-carbamothioylcyclohexyl)-2-(4-chlorophenoxy)acetamide
CID 61118939
[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
1-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxylic acid
CID 22660130

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenoxy)methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(4-chlorophenoxy)methyl]cyclohexane-1-carboxylic acid (CID 82134215) is 1-[(4-chlorophenoxy)methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-chlorophenoxy)methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(4-chlorophenoxy)methyl]cyclohexane-1-carboxylic acid is O=C(O)C1(COc2ccc(Cl)cc2)CCCCC1.
What is the InChIKey of 1-[(4-chlorophenoxy)methyl]cyclohexane-1-carboxylic acid?
The InChIKey is OXNJQSFRIGHBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO3/c15-11-4-6-12(7-5-11)18-10-14(13(16)17)8-2-1-3-9-14/h4-7H,1-3,8-10H2,(H,16,17).
What are the key properties of 1-[(4-chlorophenoxy)methyl]cyclohexane-1-carboxylic acid?
1-[(4-chlorophenoxy)methyl]cyclohexane-1-carboxylic acid has a molecular weight of 268.74 g/mol, XLogP of 3.75, 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]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 82134215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).