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

C16H22O3 — CID 117246044

IUPAC2-cyclohexyl-3-(3-methylphenoxy)propanoic acid
SMILESCc1cccc(OCC(C(=O)O)C2CCCCC2)c1
InChIInChI=1S/C16H22O3/c1-12-6-5-9-14(10-12)19-11-15(16(17)18)13-7-3-2-4-8-13/h5-6,9-10,13,15H,2-4,7-8,11H2,1H3,(H,17,18)
InChIKeyNDWFEYCSXXNUMK-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.65
Rot. Bonds5

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

2-cyclohexyl-3-(3-methylphenoxy)propanoic acid (PubChem CID 117246044) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-cyclohexyl-3-(3-methylphenoxy)propanoic acid.

Molecular Properties

Compound Name2-cyclohexyl-3-(3-methylphenoxy)propanoic acid
PubChem CID117246044
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name2-cyclohexyl-3-(3-methylphenoxy)propanoic acid
SMILESCc1cccc(OCC(C(=O)O)C2CCCCC2)c1
InChIInChI=1S/C16H22O3/c1-12-6-5-9-14(10-12)19-11-15(16(17)18)13-7-3-2-4-8-13/h5-6,9-10,13,15H,2-4,7-8,11H2,1H3,(H,17,18)
InChIKeyNDWFEYCSXXNUMK-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-(3-methylphenoxy)propanoic acid
CID 117245719
2-cyclohexyl-3-[3-(trifluoromethyl)phenoxy]propanoic acid
CID 117246043
2-cyclohexyl-3-(2-methylphenoxy)propanoic acid
CID 117246033
1-cyclobutyl-2-(3-methylphenoxy)ethanol
CID 117245576
2-cyclopropyl-3-[3-(trifluoromethyl)phenoxy]propanoic acid
CID 117245508
3-(3-hydroxyphenoxy)-2-piperidin-4-ylpropanoic acid
CID 117239763
2-(1-ethylpiperidin-4-yl)-3-(3-methoxyphenoxy)propanoic acid
CID 117239780
1-cyclononyl-3-[(2S)-1-(3-methylphenoxy)-4-phenoxybutan-2-yl]urea
CID 163436088
3-(4-chlorophenoxy)-2-cyclobutylpropanoic acid
CID 117245736
(2R)-4-cyclopentyl-1-(3-methylphenoxy)butan-2-ol
CID 161303338
3-(4-methylphenoxy)-2-piperidin-4-ylpropanoic acid
CID 117239808
4-(3-bromophenoxy)-2-cyclopentylbutanoic acid
CID 112569165

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-3-(3-methylphenoxy)propanoic acid?
The IUPAC name of 2-cyclohexyl-3-(3-methylphenoxy)propanoic acid (CID 117246044) is 2-cyclohexyl-3-(3-methylphenoxy)propanoic acid.
What is the SMILES notation for 2-cyclohexyl-3-(3-methylphenoxy)propanoic acid?
The canonical SMILES for 2-cyclohexyl-3-(3-methylphenoxy)propanoic acid is Cc1cccc(OCC(C(=O)O)C2CCCCC2)c1.
What is the InChIKey of 2-cyclohexyl-3-(3-methylphenoxy)propanoic acid?
The InChIKey is NDWFEYCSXXNUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-12-6-5-9-14(10-12)19-11-15(16(17)18)13-7-3-2-4-8-13/h5-6,9-10,13,15H,2-4,7-8,11H2,1H3,(H,17,18).
What are the key properties of 2-cyclohexyl-3-(3-methylphenoxy)propanoic acid?
2-cyclohexyl-3-(3-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-(3-methylphenoxy)propanoic acid is sourced from PubChem (CID 117246044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).