2-cyclohexyl-3-(2-methylphenoxy)propanoic acid

C16H22O3 — CID 117246033

IUPAC2-cyclohexyl-3-(2-methylphenoxy)propanoic acid
SMILESCc1ccccc1OCC(C(=O)O)C1CCCCC1
InChIInChI=1S/C16H22O3/c1-12-7-5-6-10-15(12)19-11-14(16(17)18)13-8-3-2-4-9-13/h5-7,10,13-14H,2-4,8-9,11H2,1H3,(H,17,18)
InChIKeyABWJOGJIRMXOKW-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.65
Rot. Bonds5

About 2-cyclohexyl-3-(2-methylphenoxy)propanoic acid

2-cyclohexyl-3-(2-methylphenoxy)propanoic acid (PubChem CID 117246033) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-cyclohexyl-3-(2-methylphenoxy)propanoic acid.

Molecular Properties

Compound Name2-cyclohexyl-3-(2-methylphenoxy)propanoic acid
PubChem CID117246033
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name2-cyclohexyl-3-(2-methylphenoxy)propanoic acid
SMILESCc1ccccc1OCC(C(=O)O)C1CCCCC1
InChIInChI=1S/C16H22O3/c1-12-7-5-6-10-15(12)19-11-14(16(17)18)13-8-3-2-4-9-13/h5-7,10,13-14H,2-4,8-9,11H2,1H3,(H,17,18)
InChIKeyABWJOGJIRMXOKW-UHFFFAOYSA-N
XLogP3.65
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclobutyl-3-(2-hydroxyphenoxy)propanoic acid
CID 117245713
2-cyclohexyl-3-(3-methylphenoxy)propanoic acid
CID 117246044
2-cyclopropyl-3-(2-fluorophenoxy)propanoic acid
CID 117245498
2-cyclobutyl-3-(3-methylphenoxy)propanoic acid
CID 117245719
2-cyclohexyl-3-(2-methoxyphenyl)propanoic acid
CID 79418094
2-fluoro-3-(2-methylphenoxy)propanoic acid
CID 105451332
(2S)-N-cyclooctyl-2-(2-methylphenoxy)propanamide
CID 94842700
3-(cyclopentylamino)-2-(2-methylphenyl)propanoic acid
CID 117244178
1-cycloheptyl-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969798
1-(2-cyclopropylpropoxy)-2-methylbenzene;methanamine
CID 142361084
3-(4-chlorophenoxy)-2-cyclobutylpropanoic acid
CID 117245736
N-cycloheptyl-N-methyl-2-(2-methylphenoxy)acetamide
CID 55468950

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-3-(2-methylphenoxy)propanoic acid?
The IUPAC name of 2-cyclohexyl-3-(2-methylphenoxy)propanoic acid (CID 117246033) is 2-cyclohexyl-3-(2-methylphenoxy)propanoic acid.
What is the SMILES notation for 2-cyclohexyl-3-(2-methylphenoxy)propanoic acid?
The canonical SMILES for 2-cyclohexyl-3-(2-methylphenoxy)propanoic acid is Cc1ccccc1OCC(C(=O)O)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-3-(2-methylphenoxy)propanoic acid?
The InChIKey is ABWJOGJIRMXOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-12-7-5-6-10-15(12)19-11-14(16(17)18)13-8-3-2-4-9-13/h5-7,10,13-14H,2-4,8-9,11H2,1H3,(H,17,18).
What are the key properties of 2-cyclohexyl-3-(2-methylphenoxy)propanoic acid?
2-cyclohexyl-3-(2-methylphenoxy)propanoic acid has a molecular weight of 262.35 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-3-(2-methylphenoxy)propanoic acid is sourced from PubChem (CID 117246033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).