3-tert-butyl-5-cyclohexyl-4-hydroxybenzoic acid

C17H24O3 — CID 21199340

IUPAC3-tert-butyl-5-cyclohexyl-4-hydroxybenzoic acid
SMILESCC(C)(C)c1cc(C(=O)O)cc(C2CCCCC2)c1O
InChIInChI=1S/C17H24O3/c1-17(2,3)14-10-12(16(19)20)9-13(15(14)18)11-7-5-4-6-8-11/h9-11,18H,4-8H2,1-3H3,(H,19,20)
InChIKeyUWLAYMPZYWINAR-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.44
Rot. Bonds2

About 3-tert-butyl-5-cyclohexyl-4-hydroxybenzoic acid

3-tert-butyl-5-cyclohexyl-4-hydroxybenzoic acid (PubChem CID 21199340) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-tert-butyl-5-cyclohexyl-4-hydroxybenzoic acid.

Molecular Properties

Compound Name3-tert-butyl-5-cyclohexyl-4-hydroxybenzoic acid
PubChem CID21199340
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Name3-tert-butyl-5-cyclohexyl-4-hydroxybenzoic acid
SMILESCC(C)(C)c1cc(C(=O)O)cc(C2CCCCC2)c1O
InChIInChI=1S/C17H24O3/c1-17(2,3)14-10-12(16(19)20)9-13(15(14)18)11-7-5-4-6-8-11/h9-11,18H,4-8H2,1-3H3,(H,19,20)
InChIKeyUWLAYMPZYWINAR-UHFFFAOYSA-N
XLogP4.44
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-tert-butyl-5-cyclopentyl-4-hydroxybenzoic acid
CID 3022312
2-tert-butyl-4-[8-(3-tert-butyl-5-cyclohexyl-4-hydroxyphenyl)octyl]-6-cyclohexylphenol
CID 19003383
3-cyclohexyl-4-hydroxybenzoic acid
CID 19884474
3,5-ditert-butyl-N,N-dicyclohexyl-4-hydroxybenzamide
CID 11835262
5-tert-butyl-4-hydroxybenzene-1,3-dicarboxylic acid
CID 71441710
3-cyclohexyl-5-ethyl-4-methoxybenzoic acid
CID 21199331
3-cyclohexyl-4-methoxybenzoic acid
CID 21199438
CID 101190839
CID 101190839
ethane;hydrogen peroxide;2,4,6-tricyclohexylphenol
CID 145222874
2-cyclopentylterephthalic acid
CID 174865784
2-cyclohexyl-4-[2-(3-cyclohexyl-4-hydroxy-5-methylphenyl)propan-2-yl]-6-methylphenol
CID 21020610
(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl) 3,5-ditert-butyl-4-hydroxybenzoate
CID 19892345

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-cyclohexyl-4-hydroxybenzoic acid?
The IUPAC name of 3-tert-butyl-5-cyclohexyl-4-hydroxybenzoic acid (CID 21199340) is 3-tert-butyl-5-cyclohexyl-4-hydroxybenzoic acid.
What is the SMILES notation for 3-tert-butyl-5-cyclohexyl-4-hydroxybenzoic acid?
The canonical SMILES for 3-tert-butyl-5-cyclohexyl-4-hydroxybenzoic acid is CC(C)(C)c1cc(C(=O)O)cc(C2CCCCC2)c1O.
What is the InChIKey of 3-tert-butyl-5-cyclohexyl-4-hydroxybenzoic acid?
The InChIKey is UWLAYMPZYWINAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O3/c1-17(2,3)14-10-12(16(19)20)9-13(15(14)18)11-7-5-4-6-8-11/h9-11,18H,4-8H2,1-3H3,(H,19,20).
What are the key properties of 3-tert-butyl-5-cyclohexyl-4-hydroxybenzoic acid?
3-tert-butyl-5-cyclohexyl-4-hydroxybenzoic acid has a molecular weight of 276.38 g/mol, XLogP of 4.44, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-cyclohexyl-4-hydroxybenzoic acid is sourced from PubChem (CID 21199340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).