[2-(cyclohexylmethoxymethyl)-5-(trifluoromethyl)phenyl]methanol

C16H21F3O2 — CID 67091416

IUPAC[2-(cyclohexylmethoxymethyl)-5-(trifluoromethyl)phenyl]methanol
SMILESOCc1cc(C(F)(F)F)ccc1COCC1CCCCC1
InChIInChI=1S/C16H21F3O2/c17-16(18,19)15-7-6-13(14(8-15)9-20)11-21-10-12-4-2-1-3-5-12/h6-8,12,20H,1-5,9-11H2
InChIKeyIWEMSKSRDLDHGE-UHFFFAOYSA-N
MW302.34 g/mol
LogP4.29
Rot. Bonds5

About [2-(cyclohexylmethoxymethyl)-5-(trifluoromethyl)phenyl]methanol

[2-(cyclohexylmethoxymethyl)-5-(trifluoromethyl)phenyl]methanol (PubChem CID 67091416) has the molecular formula C16H21F3O2 and a molecular weight of 302.34 g/mol. Its IUPAC name is [2-(cyclohexylmethoxymethyl)-5-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name[2-(cyclohexylmethoxymethyl)-5-(trifluoromethyl)phenyl]methanol
PubChem CID67091416
Molecular FormulaC16H21F3O2
Molecular Weight302.34 g/mol
Exact Mass302.15
IUPAC Name[2-(cyclohexylmethoxymethyl)-5-(trifluoromethyl)phenyl]methanol
SMILESOCc1cc(C(F)(F)F)ccc1COCC1CCCCC1
InChIInChI=1S/C16H21F3O2/c17-16(18,19)15-7-6-13(14(8-15)9-20)11-21-10-12-4-2-1-3-5-12/h6-8,12,20H,1-5,9-11H2
InChIKeyIWEMSKSRDLDHGE-UHFFFAOYSA-N
XLogP4.29
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylmethoxymethyl)-5-(trifluoromethyl)phenyl]methanol?
The IUPAC name of [2-(cyclohexylmethoxymethyl)-5-(trifluoromethyl)phenyl]methanol (CID 67091416) is [2-(cyclohexylmethoxymethyl)-5-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for [2-(cyclohexylmethoxymethyl)-5-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for [2-(cyclohexylmethoxymethyl)-5-(trifluoromethyl)phenyl]methanol is OCc1cc(C(F)(F)F)ccc1COCC1CCCCC1.
What is the InChIKey of [2-(cyclohexylmethoxymethyl)-5-(trifluoromethyl)phenyl]methanol?
The InChIKey is IWEMSKSRDLDHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3O2/c17-16(18,19)15-7-6-13(14(8-15)9-20)11-21-10-12-4-2-1-3-5-12/h6-8,12,20H,1-5,9-11H2.
What are the key properties of [2-(cyclohexylmethoxymethyl)-5-(trifluoromethyl)phenyl]methanol?
[2-(cyclohexylmethoxymethyl)-5-(trifluoromethyl)phenyl]methanol has a molecular weight of 302.34 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylmethoxymethyl)-5-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 67091416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).