(4-methoxy-2-methylphenyl)-[3-(trifluoromethyl)cyclohexyl]methanol

C16H21F3O2 — CID 105082980

IUPAC(4-methoxy-2-methylphenyl)-[3-(trifluoromethyl)cyclohexyl]methanol
SMILESCOc1ccc(C(O)C2CCCC(C(F)(F)F)C2)c(C)c1
InChIInChI=1S/C16H21F3O2/c1-10-8-13(21-2)6-7-14(10)15(20)11-4-3-5-12(9-11)16(17,18)19/h6-8,11-12,15,20H,3-5,9H2,1-2H3
InChIKeyPXKHJRLAOBOMJC-UHFFFAOYSA-N
MW302.34 g/mol
LogP4.41
Rot. Bonds3

About (4-methoxy-2-methylphenyl)-[3-(trifluoromethyl)cyclohexyl]methanol

(4-methoxy-2-methylphenyl)-[3-(trifluoromethyl)cyclohexyl]methanol (PubChem CID 105082980) has the molecular formula C16H21F3O2 and a molecular weight of 302.34 g/mol. Its IUPAC name is (4-methoxy-2-methylphenyl)-[3-(trifluoromethyl)cyclohexyl]methanol.

Molecular Properties

Compound Name(4-methoxy-2-methylphenyl)-[3-(trifluoromethyl)cyclohexyl]methanol
PubChem CID105082980
Molecular FormulaC16H21F3O2
Molecular Weight302.34 g/mol
Exact Mass302.15
IUPAC Name(4-methoxy-2-methylphenyl)-[3-(trifluoromethyl)cyclohexyl]methanol
SMILESCOc1ccc(C(O)C2CCCC(C(F)(F)F)C2)c(C)c1
InChIInChI=1S/C16H21F3O2/c1-10-8-13(21-2)6-7-14(10)15(20)11-4-3-5-12(9-11)16(17,18)19/h6-8,11-12,15,20H,3-5,9H2,1-2H3
InChIKeyPXKHJRLAOBOMJC-UHFFFAOYSA-N
XLogP4.41
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-fluoro-4-methoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methanamine
CID 103397393
(5-methoxy-3-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methanol
CID 105121215
(4-ethoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methanol
CID 105092082
(4-methoxy-2-methylphenyl)-piperidin-4-ylmethanol
CID 80560362
(4-methoxy-2-methylphenyl)-(4-propylcyclohexyl)methanol
CID 65423725
cyclobutyl-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 102751758
[(4-methoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methyl]hydrazine
CID 105286260
(4-methoxy-2-methylphenyl)-(thiolan-2-yl)methanol
CID 80622075
cyclobutyl-(4-fluoro-2-methylphenyl)methanol
CID 64987002
(1S,2R)-2-amino-1-cyclobutyl-2-(2-fluoro-4-methoxyphenyl)ethanol
CID 171159980
(2-amino-4-methoxyphenyl)-cyclohexylmethanol
CID 105496696
1H-pyrrol-2-yl-[3-(trifluoromethyl)cyclohexyl]methanol
CID 112742811

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-2-methylphenyl)-[3-(trifluoromethyl)cyclohexyl]methanol?
The IUPAC name of (4-methoxy-2-methylphenyl)-[3-(trifluoromethyl)cyclohexyl]methanol (CID 105082980) is (4-methoxy-2-methylphenyl)-[3-(trifluoromethyl)cyclohexyl]methanol.
What is the SMILES notation for (4-methoxy-2-methylphenyl)-[3-(trifluoromethyl)cyclohexyl]methanol?
The canonical SMILES for (4-methoxy-2-methylphenyl)-[3-(trifluoromethyl)cyclohexyl]methanol is COc1ccc(C(O)C2CCCC(C(F)(F)F)C2)c(C)c1.
What is the InChIKey of (4-methoxy-2-methylphenyl)-[3-(trifluoromethyl)cyclohexyl]methanol?
The InChIKey is PXKHJRLAOBOMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3O2/c1-10-8-13(21-2)6-7-14(10)15(20)11-4-3-5-12(9-11)16(17,18)19/h6-8,11-12,15,20H,3-5,9H2,1-2H3.
What are the key properties of (4-methoxy-2-methylphenyl)-[3-(trifluoromethyl)cyclohexyl]methanol?
(4-methoxy-2-methylphenyl)-[3-(trifluoromethyl)cyclohexyl]methanol has a molecular weight of 302.34 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-2-methylphenyl)-[3-(trifluoromethyl)cyclohexyl]methanol is sourced from PubChem (CID 105082980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).