(4-ethoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methanol

C16H21F3O2 — CID 105092082

IUPAC(4-ethoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methanol
SMILESCCOc1ccc(C(O)C2CCCC(C(F)(F)F)C2)cc1
InChIInChI=1S/C16H21F3O2/c1-2-21-14-8-6-11(7-9-14)15(20)12-4-3-5-13(10-12)16(17,18)19/h6-9,12-13,15,20H,2-5,10H2,1H3
InChIKeyRXXNYUTZNPJRPM-UHFFFAOYSA-N
MW302.34 g/mol
LogP4.49
Rot. Bonds4

About (4-ethoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methanol

(4-ethoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methanol (PubChem CID 105092082) has the molecular formula C16H21F3O2 and a molecular weight of 302.34 g/mol. Its IUPAC name is (4-ethoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methanol.

Molecular Properties

Compound Name(4-ethoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methanol
PubChem CID105092082
Molecular FormulaC16H21F3O2
Molecular Weight302.34 g/mol
Exact Mass302.15
IUPAC Name(4-ethoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methanol
SMILESCCOc1ccc(C(O)C2CCCC(C(F)(F)F)C2)cc1
InChIInChI=1S/C16H21F3O2/c1-2-21-14-8-6-11(7-9-14)15(20)12-4-3-5-13(10-12)16(17,18)19/h6-9,12-13,15,20H,2-5,10H2,1H3
InChIKeyRXXNYUTZNPJRPM-UHFFFAOYSA-N
XLogP4.49
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4-ethoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methanol 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

(4-propylphenyl)-[3-(trifluoromethyl)cyclohexyl]methanol
CID 105095256
(4-ethoxyphenyl)-[2-(trifluoromethyl)cyclohexyl]methanol
CID 105092058
(4-methoxy-2-methylphenyl)-[3-(trifluoromethyl)cyclohexyl]methanol
CID 105082980
(5-methoxy-3-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methanol
CID 105121215
(R)-(4-ethoxyphenyl)-piperidin-1-ium-4-ylmethanol
CID 7348196
(2-fluoro-4-methoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methanamine
CID 103397393
1H-pyrrol-2-yl-[3-(trifluoromethyl)cyclohexyl]methanol
CID 112742811
(4-ethoxyphenyl)-(3-ethylcyclohexyl)methanamine
CID 65415745
[(4-methoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methyl]hydrazine
CID 105286260
2-cyclopentyl-1-(4-ethoxyphenyl)ethanol
CID 61101248
cyclobutyl-(4-cyclopropyloxyphenyl)methanol
CID 114518671
(4-cyclopropyloxyphenyl)-(4-ethoxyphenyl)methanol
CID 114518502

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methanol?
The IUPAC name of (4-ethoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methanol (CID 105092082) is (4-ethoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methanol.
What is the SMILES notation for (4-ethoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methanol?
The canonical SMILES for (4-ethoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methanol is CCOc1ccc(C(O)C2CCCC(C(F)(F)F)C2)cc1.
What is the InChIKey of (4-ethoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methanol?
The InChIKey is RXXNYUTZNPJRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3O2/c1-2-21-14-8-6-11(7-9-14)15(20)12-4-3-5-13(10-12)16(17,18)19/h6-9,12-13,15,20H,2-5,10H2,1H3.
What are the key properties of (4-ethoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methanol?
(4-ethoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methanol has a molecular weight of 302.34 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methanol is sourced from PubChem (CID 105092082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).