(4-ethoxyphenyl)-[2-(trifluoromethyl)cyclohexyl]methanol

C16H21F3O2 — CID 105092058

IUPAC(4-ethoxyphenyl)-[2-(trifluoromethyl)cyclohexyl]methanol
SMILESCCOc1ccc(C(O)C2CCCCC2C(F)(F)F)cc1
InChIInChI=1S/C16H21F3O2/c1-2-21-12-9-7-11(8-10-12)15(20)13-5-3-4-6-14(13)16(17,18)19/h7-10,13-15,20H,2-6H2,1H3
InChIKeyYMVKXBJYPHQLIE-UHFFFAOYSA-N
MW302.34 g/mol
LogP4.49
Rot. Bonds4

About (4-ethoxyphenyl)-[2-(trifluoromethyl)cyclohexyl]methanol

(4-ethoxyphenyl)-[2-(trifluoromethyl)cyclohexyl]methanol (PubChem CID 105092058) has the molecular formula C16H21F3O2 and a molecular weight of 302.34 g/mol. Its IUPAC name is (4-ethoxyphenyl)-[2-(trifluoromethyl)cyclohexyl]methanol.

Molecular Properties

Compound Name(4-ethoxyphenyl)-[2-(trifluoromethyl)cyclohexyl]methanol
PubChem CID105092058
Molecular FormulaC16H21F3O2
Molecular Weight302.34 g/mol
Exact Mass302.15
IUPAC Name(4-ethoxyphenyl)-[2-(trifluoromethyl)cyclohexyl]methanol
SMILESCCOc1ccc(C(O)C2CCCCC2C(F)(F)F)cc1
InChIInChI=1S/C16H21F3O2/c1-2-21-12-9-7-11(8-10-12)15(20)13-5-3-4-6-14(13)16(17,18)19/h7-10,13-15,20H,2-6H2,1H3
InChIKeyYMVKXBJYPHQLIE-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

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Related Compounds

(4-ethoxyphenyl)-[3-(trifluoromethyl)cyclohexyl]methanol
CID 105092082
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(R)-(4-ethoxyphenyl)-piperidin-1-ium-4-ylmethanol
CID 7348196
1-(4-ethoxyphenyl)-2,2,3,3,3-pentafluoropropan-1-ol
CID 61100045
(4-cyclopropyloxyphenyl)-(4-ethoxyphenyl)methanol
CID 114518502
1-(4-ethoxyphenyl)-4,4,4-trifluorobutan-1-ol
CID 64567192
(4-ethoxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanol
CID 105092056
1-(4-ethoxyphenyl)-2,2-difluoroethanol
CID 80604264
amino-(4-ethoxyphenyl)methanol
CID 116939610
[3-cyclohexyl-1-(4-ethoxyphenyl)propyl]hydrazine
CID 105300716
1-(1-bromo-2-cyclohexylethyl)-4-ethoxybenzene
CID 63437137
3-amino-1-cyclopropyl-2-(4-ethoxyphenyl)propan-1-ol
CID 65187865

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)-[2-(trifluoromethyl)cyclohexyl]methanol?
The IUPAC name of (4-ethoxyphenyl)-[2-(trifluoromethyl)cyclohexyl]methanol (CID 105092058) is (4-ethoxyphenyl)-[2-(trifluoromethyl)cyclohexyl]methanol.
What is the SMILES notation for (4-ethoxyphenyl)-[2-(trifluoromethyl)cyclohexyl]methanol?
The canonical SMILES for (4-ethoxyphenyl)-[2-(trifluoromethyl)cyclohexyl]methanol is CCOc1ccc(C(O)C2CCCCC2C(F)(F)F)cc1.
What is the InChIKey of (4-ethoxyphenyl)-[2-(trifluoromethyl)cyclohexyl]methanol?
The InChIKey is YMVKXBJYPHQLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3O2/c1-2-21-12-9-7-11(8-10-12)15(20)13-5-3-4-6-14(13)16(17,18)19/h7-10,13-15,20H,2-6H2,1H3.
What are the key properties of (4-ethoxyphenyl)-[2-(trifluoromethyl)cyclohexyl]methanol?
(4-ethoxyphenyl)-[2-(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)-[2-(trifluoromethyl)cyclohexyl]methanol is sourced from PubChem (CID 105092058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).