[1-(2,4-difluorophenoxy)cyclohexyl]methanol

C13H16F2O2 — CID 82130117

IUPAC[1-(2,4-difluorophenoxy)cyclohexyl]methanol
SMILESOCC1(Oc2ccc(F)cc2F)CCCCC1
InChIInChI=1S/C13H16F2O2/c14-10-4-5-12(11(15)8-10)17-13(9-16)6-2-1-3-7-13/h4-5,8,16H,1-3,6-7,9H2
InChIKeyIJYLYJJHGCXCLQ-UHFFFAOYSA-N
MW242.26 g/mol
LogP3.04
Rot. Bonds3

About [1-(2,4-difluorophenoxy)cyclohexyl]methanol

[1-(2,4-difluorophenoxy)cyclohexyl]methanol (PubChem CID 82130117) has the molecular formula C13H16F2O2 and a molecular weight of 242.26 g/mol. Its IUPAC name is [1-(2,4-difluorophenoxy)cyclohexyl]methanol.

Molecular Properties

Compound Name[1-(2,4-difluorophenoxy)cyclohexyl]methanol
PubChem CID82130117
Molecular FormulaC13H16F2O2
Molecular Weight242.26 g/mol
Exact Mass242.11
IUPAC Name[1-(2,4-difluorophenoxy)cyclohexyl]methanol
SMILESOCC1(Oc2ccc(F)cc2F)CCCCC1
InChIInChI=1S/C13H16F2O2/c14-10-4-5-12(11(15)8-10)17-13(9-16)6-2-1-3-7-13/h4-5,8,16H,1-3,6-7,9H2
InChIKeyIJYLYJJHGCXCLQ-UHFFFAOYSA-N
XLogP3.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(2,4-difluorophenoxy)cyclohexyl]methanol?
The IUPAC name of [1-(2,4-difluorophenoxy)cyclohexyl]methanol (CID 82130117) is [1-(2,4-difluorophenoxy)cyclohexyl]methanol.
What is the SMILES notation for [1-(2,4-difluorophenoxy)cyclohexyl]methanol?
The canonical SMILES for [1-(2,4-difluorophenoxy)cyclohexyl]methanol is OCC1(Oc2ccc(F)cc2F)CCCCC1.
What is the InChIKey of [1-(2,4-difluorophenoxy)cyclohexyl]methanol?
The InChIKey is IJYLYJJHGCXCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2O2/c14-10-4-5-12(11(15)8-10)17-13(9-16)6-2-1-3-7-13/h4-5,8,16H,1-3,6-7,9H2.
What are the key properties of [1-(2,4-difluorophenoxy)cyclohexyl]methanol?
[1-(2,4-difluorophenoxy)cyclohexyl]methanol has a molecular weight of 242.26 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4-difluorophenoxy)cyclohexyl]methanol is sourced from PubChem (CID 82130117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).