[4-(difluoromethoxy)phenyl]methanol

C8H8F2O2 — CID 2736996

IUPAC[4-(difluoromethoxy)phenyl]methanol
SMILESOCc1ccc(OC(F)F)cc1
InChIInChI=1S/C8H8F2O2/c9-8(10)12-7-3-1-6(5-11)2-4-7/h1-4,8,11H,5H2
InChIKeyHSIDWXYUJAUALR-UHFFFAOYSA-N
MW174.15 g/mol
LogP1.78
Rot. Bonds3

About [4-(difluoromethoxy)phenyl]methanol

[4-(difluoromethoxy)phenyl]methanol (PubChem CID 2736996) has the molecular formula C8H8F2O2 and a molecular weight of 174.15 g/mol. Its IUPAC name is [4-(difluoromethoxy)phenyl]methanol.

Molecular Properties

Compound Name[4-(difluoromethoxy)phenyl]methanol
PubChem CID2736996
Molecular FormulaC8H8F2O2
Molecular Weight174.15 g/mol
Exact Mass174.05
IUPAC Name[4-(difluoromethoxy)phenyl]methanol
SMILESOCc1ccc(OC(F)F)cc1
InChIInChI=1S/C8H8F2O2/c9-8(10)12-7-3-1-6(5-11)2-4-7/h1-4,8,11H,5H2
InChIKeyHSIDWXYUJAUALR-UHFFFAOYSA-N
XLogP1.78
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethoxy)phenyl]methanol?
The IUPAC name of [4-(difluoromethoxy)phenyl]methanol (CID 2736996) is [4-(difluoromethoxy)phenyl]methanol.
What is the SMILES notation for [4-(difluoromethoxy)phenyl]methanol?
The canonical SMILES for [4-(difluoromethoxy)phenyl]methanol is OCc1ccc(OC(F)F)cc1.
What is the InChIKey of [4-(difluoromethoxy)phenyl]methanol?
The InChIKey is HSIDWXYUJAUALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2O2/c9-8(10)12-7-3-1-6(5-11)2-4-7/h1-4,8,11H,5H2.
What are the key properties of [4-(difluoromethoxy)phenyl]methanol?
[4-(difluoromethoxy)phenyl]methanol has a molecular weight of 174.15 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethoxy)phenyl]methanol is sourced from PubChem (CID 2736996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).