(2-ethylcyclohexyl)-[2-(trifluoromethoxy)phenyl]methanol

C16H21F3O2 — CID 63894152

IUPAC(2-ethylcyclohexyl)-[2-(trifluoromethoxy)phenyl]methanol
SMILESCCC1CCCCC1C(O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C16H21F3O2/c1-2-11-7-3-4-8-12(11)15(20)13-9-5-6-10-14(13)21-16(17,18)19/h5-6,9-12,15,20H,2-4,7-8H2,1H3
InChIKeyOKRIKFIQLCNVEG-UHFFFAOYSA-N
MW302.34 g/mol
LogP4.84
Rot. Bonds4

About (2-ethylcyclohexyl)-[2-(trifluoromethoxy)phenyl]methanol

(2-ethylcyclohexyl)-[2-(trifluoromethoxy)phenyl]methanol (PubChem CID 63894152) has the molecular formula C16H21F3O2 and a molecular weight of 302.34 g/mol. Its IUPAC name is (2-ethylcyclohexyl)-[2-(trifluoromethoxy)phenyl]methanol.

Molecular Properties

Compound Name(2-ethylcyclohexyl)-[2-(trifluoromethoxy)phenyl]methanol
PubChem CID63894152
Molecular FormulaC16H21F3O2
Molecular Weight302.34 g/mol
Exact Mass302.15
IUPAC Name(2-ethylcyclohexyl)-[2-(trifluoromethoxy)phenyl]methanol
SMILESCCC1CCCCC1C(O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C16H21F3O2/c1-2-11-7-3-4-8-12(11)15(20)13-9-5-6-10-14(13)21-16(17,18)19/h5-6,9-12,15,20H,2-4,7-8H2,1H3
InChIKeyOKRIKFIQLCNVEG-UHFFFAOYSA-N
XLogP4.84
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 ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclohexyl-[2-(trifluoromethoxy)phenyl]methanol
CID 62790469
(2-methylcyclopropyl)-[2-(trifluoromethoxy)phenyl]methanol
CID 65420822
(2-aminophenyl)-(2-ethylcyclohexyl)methanol
CID 64831996
(R)-(2-ethylcyclopentyl)-(2-methylphenyl)methanol
CID 59207149
(2-chloro-4-fluorophenyl)-(2-ethylcyclohexyl)methanol
CID 63861648
(1S,2R)-2-amino-1-cyclopentyl-2-[2-(trifluoromethoxy)phenyl]ethanol;hydrochloride
CID 171160319
2-ethyl-1-[2-(trifluoromethoxy)phenyl]butane-1,2-diol
CID 103449289
1-(2-ethoxyphenyl)-1-(2-ethylcyclohexyl)-N-methylmethanamine
CID 115533850
2-cyclohexyl-1-[2-(trifluoromethoxy)phenyl]ethanamine
CID 115850794
2-(cyclopentylamino)-2-[2-(trifluoromethoxy)phenyl]acetamide
CID 61001989
[4-bromo-3-(trifluoromethyl)phenyl]-(2-ethylcyclohexyl)methanol
CID 115801665
ethyl 2-fluoro-3-hydroxy-3-[2-(trifluoromethoxy)phenyl]propanoate
CID 79366819

Frequently Asked Questions

What is the IUPAC name of (2-ethylcyclohexyl)-[2-(trifluoromethoxy)phenyl]methanol?
The IUPAC name of (2-ethylcyclohexyl)-[2-(trifluoromethoxy)phenyl]methanol (CID 63894152) is (2-ethylcyclohexyl)-[2-(trifluoromethoxy)phenyl]methanol.
What is the SMILES notation for (2-ethylcyclohexyl)-[2-(trifluoromethoxy)phenyl]methanol?
The canonical SMILES for (2-ethylcyclohexyl)-[2-(trifluoromethoxy)phenyl]methanol is CCC1CCCCC1C(O)c1ccccc1OC(F)(F)F.
What is the InChIKey of (2-ethylcyclohexyl)-[2-(trifluoromethoxy)phenyl]methanol?
The InChIKey is OKRIKFIQLCNVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3O2/c1-2-11-7-3-4-8-12(11)15(20)13-9-5-6-10-14(13)21-16(17,18)19/h5-6,9-12,15,20H,2-4,7-8H2,1H3.
What are the key properties of (2-ethylcyclohexyl)-[2-(trifluoromethoxy)phenyl]methanol?
(2-ethylcyclohexyl)-[2-(trifluoromethoxy)phenyl]methanol has a molecular weight of 302.34 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylcyclohexyl)-[2-(trifluoromethoxy)phenyl]methanol is sourced from PubChem (CID 63894152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).