3-(cyclohexylmethoxy)-5-(2-methylpropyl)benzoic acid

C18H26O3 — CID 70956998

IUPAC3-(cyclohexylmethoxy)-5-(2-methylpropyl)benzoic acid
SMILESCC(C)Cc1cc(OCC2CCCCC2)cc(C(=O)O)c1
InChIInChI=1S/C18H26O3/c1-13(2)8-15-9-16(18(19)20)11-17(10-15)21-12-14-6-4-3-5-7-14/h9-11,13-14H,3-8,12H2,1-2H3,(H,19,20)
InChIKeyUTGLKOBATQNUIZ-UHFFFAOYSA-N
MW290.40 g/mol
LogP4.54
Rot. Bonds6

About 3-(cyclohexylmethoxy)-5-(2-methylpropyl)benzoic acid

3-(cyclohexylmethoxy)-5-(2-methylpropyl)benzoic acid (PubChem CID 70956998) has the molecular formula C18H26O3 and a molecular weight of 290.40 g/mol. Its IUPAC name is 3-(cyclohexylmethoxy)-5-(2-methylpropyl)benzoic acid.

Molecular Properties

Compound Name3-(cyclohexylmethoxy)-5-(2-methylpropyl)benzoic acid
PubChem CID70956998
Molecular FormulaC18H26O3
Molecular Weight290.40 g/mol
Exact Mass290.19
IUPAC Name3-(cyclohexylmethoxy)-5-(2-methylpropyl)benzoic acid
SMILESCC(C)Cc1cc(OCC2CCCCC2)cc(C(=O)O)c1
InChIInChI=1S/C18H26O3/c1-13(2)8-15-9-16(18(19)20)11-17(10-15)21-12-14-6-4-3-5-7-14/h9-11,13-14H,3-8,12H2,1-2H3,(H,19,20)
InChIKeyUTGLKOBATQNUIZ-UHFFFAOYSA-N
XLogP4.54
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclohexylmethoxy)-4-(2-methylpropyl)benzene
CID 66792626
3-(cyclooctylmethoxy)benzoic acid
CID 58347494
4-(cyclohexylmethoxy)-3,5-dimethylbenzoic acid
CID 43117999
3-[[4-[(1S)-1-amino-2-[cyclobutyl(methyl)amino]-2-oxoethyl]cyclohexyl]methoxy]-5-(hydroxymethyl)benzoic acid
CID 143017125
3-[(6-cyclopropylsulfonyl-3-pyridinyl)oxy]-5-(2-methylpropyl)benzoic acid
CID 67362369
cis-(1S,3R)-3-[[4-(2-methylpropyl)phenoxy]methyl]cyclohexane-1-carboxylic acid
CID 59134584
4-[(3-methylcyclohexyl)methoxy]benzoic acid
CID 114197046
3-(cyclohexylmethoxy)-5-[(Z)-3-[(2,2,2-trifluoroacetyl)amino]prop-1-enyl]benzoic acid
CID 87353227
cyclobutane;3-(cyclohexylmethoxy)benzoic acid;bis(4-cyclopentyloxybenzoic acid)
CID 174840295
3-(cyclopropylmethoxy)-5-ethyl-N,N-dimethylbenzamide
CID 165355331
4-(cyclohexylmethoxy)pyridine-2-carboxylic acid
CID 62382036
1-[3-(cyclobutylmethoxy)-5-fluorophenyl]ethanone
CID 84687564

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethoxy)-5-(2-methylpropyl)benzoic acid?
The IUPAC name of 3-(cyclohexylmethoxy)-5-(2-methylpropyl)benzoic acid (CID 70956998) is 3-(cyclohexylmethoxy)-5-(2-methylpropyl)benzoic acid.
What is the SMILES notation for 3-(cyclohexylmethoxy)-5-(2-methylpropyl)benzoic acid?
The canonical SMILES for 3-(cyclohexylmethoxy)-5-(2-methylpropyl)benzoic acid is CC(C)Cc1cc(OCC2CCCCC2)cc(C(=O)O)c1.
What is the InChIKey of 3-(cyclohexylmethoxy)-5-(2-methylpropyl)benzoic acid?
The InChIKey is UTGLKOBATQNUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O3/c1-13(2)8-15-9-16(18(19)20)11-17(10-15)21-12-14-6-4-3-5-7-14/h9-11,13-14H,3-8,12H2,1-2H3,(H,19,20).
What are the key properties of 3-(cyclohexylmethoxy)-5-(2-methylpropyl)benzoic acid?
3-(cyclohexylmethoxy)-5-(2-methylpropyl)benzoic acid has a molecular weight of 290.40 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethoxy)-5-(2-methylpropyl)benzoic acid is sourced from PubChem (CID 70956998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).