(4-tert-butylcyclohexyl) 3-hydroxybenzoate

C17H24O3 — CID 82096880

IUPAC(4-tert-butylcyclohexyl) 3-hydroxybenzoate
SMILESCC(C)(C)C1CCC(OC(=O)c2cccc(O)c2)CC1
InChIInChI=1S/C17H24O3/c1-17(2,3)13-7-9-15(10-8-13)20-16(19)12-5-4-6-14(18)11-12/h4-6,11,13,15,18H,7-10H2,1-3H3
InChIKeyDFJQKWCGJUGYII-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.15
Rot. Bonds2

About (4-tert-butylcyclohexyl) 3-hydroxybenzoate

(4-tert-butylcyclohexyl) 3-hydroxybenzoate (PubChem CID 82096880) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is (4-tert-butylcyclohexyl) 3-hydroxybenzoate.

Molecular Properties

Compound Name(4-tert-butylcyclohexyl) 3-hydroxybenzoate
PubChem CID82096880
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Name(4-tert-butylcyclohexyl) 3-hydroxybenzoate
SMILESCC(C)(C)C1CCC(OC(=O)c2cccc(O)c2)CC1
InChIInChI=1S/C17H24O3/c1-17(2,3)13-7-9-15(10-8-13)20-16(19)12-5-4-6-14(18)11-12/h4-6,11,13,15,18H,7-10H2,1-3H3
InChIKeyDFJQKWCGJUGYII-UHFFFAOYSA-N
XLogP4.15
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-tert-butylcyclohexyl) 3-hydroxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-O-(4-tert-butylcyclohexyl) 1-O-ethyl benzene-1,3-dicarboxylate
CID 91732085
(4-tert-butylcyclohexyl) 3-cyanobenzoate
CID 18283869
cyclopentyl 3-hydroxybenzoate
CID 82096879
(4-tert-butylcyclohexyl) 3-(cyanomethyl)benzoate
CID 82179752
(4-tert-butylcyclohexyl) 3-[(4-ethoxyphenoxy)methyl]benzoate
CID 3471491
[4-[2-(4-methoxycyclohexyl)propan-2-yl]cyclohexyl] 3-acetylbenzoate
CID 21014789
bis(4-aminocyclohexyl) benzene-1,3-dicarboxylate;propane
CID 67914272
(4-tert-butylcyclohexyl) 4-(methylsulfonylmethyl)benzoate
CID 55328831
cyclobutyl 3-methylbenzoate
CID 530470
3-(4,4-dimethylcyclohexyl)oxycarbonylbenzoic acid
CID 139774973
cyclopropyl 4-hydroxybenzoate
CID 175929910
[(1R,3R)-3-tert-butylcyclohexyl] benzoate
CID 90714659

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylcyclohexyl) 3-hydroxybenzoate?
The IUPAC name of (4-tert-butylcyclohexyl) 3-hydroxybenzoate (CID 82096880) is (4-tert-butylcyclohexyl) 3-hydroxybenzoate.
What is the SMILES notation for (4-tert-butylcyclohexyl) 3-hydroxybenzoate?
The canonical SMILES for (4-tert-butylcyclohexyl) 3-hydroxybenzoate is CC(C)(C)C1CCC(OC(=O)c2cccc(O)c2)CC1.
What is the InChIKey of (4-tert-butylcyclohexyl) 3-hydroxybenzoate?
The InChIKey is DFJQKWCGJUGYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O3/c1-17(2,3)13-7-9-15(10-8-13)20-16(19)12-5-4-6-14(18)11-12/h4-6,11,13,15,18H,7-10H2,1-3H3.
What are the key properties of (4-tert-butylcyclohexyl) 3-hydroxybenzoate?
(4-tert-butylcyclohexyl) 3-hydroxybenzoate has a molecular weight of 276.38 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylcyclohexyl) 3-hydroxybenzoate is sourced from PubChem (CID 82096880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).