[5-chloro-2-(difluoromethoxy)phenyl]methanol

C8H7ClF2O2 — CID 43141878

IUPAC[5-chloro-2-(difluoromethoxy)phenyl]methanol
SMILESOCc1cc(Cl)ccc1OC(F)F
InChIInChI=1S/C8H7ClF2O2/c9-6-1-2-7(13-8(10)11)5(3-6)4-12/h1-3,8,12H,4H2
InChIKeyWRCKBMKBPHCJSS-UHFFFAOYSA-N
MW208.59 g/mol
LogP2.43
Rot. Bonds3

About [5-chloro-2-(difluoromethoxy)phenyl]methanol

[5-chloro-2-(difluoromethoxy)phenyl]methanol (PubChem CID 43141878) has the molecular formula C8H7ClF2O2 and a molecular weight of 208.59 g/mol. Its IUPAC name is [5-chloro-2-(difluoromethoxy)phenyl]methanol.

Molecular Properties

Compound Name[5-chloro-2-(difluoromethoxy)phenyl]methanol
PubChem CID43141878
Molecular FormulaC8H7ClF2O2
Molecular Weight208.59 g/mol
Exact Mass208.01
IUPAC Name[5-chloro-2-(difluoromethoxy)phenyl]methanol
SMILESOCc1cc(Cl)ccc1OC(F)F
InChIInChI=1S/C8H7ClF2O2/c9-6-1-2-7(13-8(10)11)5(3-6)4-12/h1-3,8,12H,4H2
InChIKeyWRCKBMKBPHCJSS-UHFFFAOYSA-N
XLogP2.43
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.59
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(difluoromethoxy)phenyl]methanol?
The IUPAC name of [5-chloro-2-(difluoromethoxy)phenyl]methanol (CID 43141878) is [5-chloro-2-(difluoromethoxy)phenyl]methanol.
What is the SMILES notation for [5-chloro-2-(difluoromethoxy)phenyl]methanol?
The canonical SMILES for [5-chloro-2-(difluoromethoxy)phenyl]methanol is OCc1cc(Cl)ccc1OC(F)F.
What is the InChIKey of [5-chloro-2-(difluoromethoxy)phenyl]methanol?
The InChIKey is WRCKBMKBPHCJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF2O2/c9-6-1-2-7(13-8(10)11)5(3-6)4-12/h1-3,8,12H,4H2.
What are the key properties of [5-chloro-2-(difluoromethoxy)phenyl]methanol?
[5-chloro-2-(difluoromethoxy)phenyl]methanol has a molecular weight of 208.59 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(difluoromethoxy)phenyl]methanol is sourced from PubChem (CID 43141878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).