1-[2,4-difluoro-3-(methoxymethyl)phenyl]ethanol

C10H12F2O2 — CID 117290657

IUPAC1-[2,4-difluoro-3-(methoxymethyl)phenyl]ethanol
SMILESCOCc1c(F)ccc(C(C)O)c1F
InChIInChI=1S/C10H12F2O2/c1-6(13)7-3-4-9(11)8(5-14-2)10(7)12/h3-4,6,13H,5H2,1-2H3
InChIKeyUFZZWSQMEBBPGS-UHFFFAOYSA-N
MW202.20 g/mol
LogP2.16
Rot. Bonds3

About 1-[2,4-difluoro-3-(methoxymethyl)phenyl]ethanol

1-[2,4-difluoro-3-(methoxymethyl)phenyl]ethanol (PubChem CID 117290657) has the molecular formula C10H12F2O2 and a molecular weight of 202.20 g/mol. Its IUPAC name is 1-[2,4-difluoro-3-(methoxymethyl)phenyl]ethanol.

Molecular Properties

Compound Name1-[2,4-difluoro-3-(methoxymethyl)phenyl]ethanol
PubChem CID117290657
Molecular FormulaC10H12F2O2
Molecular Weight202.20 g/mol
Exact Mass202.08
IUPAC Name1-[2,4-difluoro-3-(methoxymethyl)phenyl]ethanol
SMILESCOCc1c(F)ccc(C(C)O)c1F
InChIInChI=1S/C10H12F2O2/c1-6(13)7-3-4-9(11)8(5-14-2)10(7)12/h3-4,6,13H,5H2,1-2H3
InChIKeyUFZZWSQMEBBPGS-UHFFFAOYSA-N
XLogP2.16
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.20
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2,4-difluoro-3-(methoxymethyl)phenyl]ethanol?
The IUPAC name of 1-[2,4-difluoro-3-(methoxymethyl)phenyl]ethanol (CID 117290657) is 1-[2,4-difluoro-3-(methoxymethyl)phenyl]ethanol.
What is the SMILES notation for 1-[2,4-difluoro-3-(methoxymethyl)phenyl]ethanol?
The canonical SMILES for 1-[2,4-difluoro-3-(methoxymethyl)phenyl]ethanol is COCc1c(F)ccc(C(C)O)c1F.
What is the InChIKey of 1-[2,4-difluoro-3-(methoxymethyl)phenyl]ethanol?
The InChIKey is UFZZWSQMEBBPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2O2/c1-6(13)7-3-4-9(11)8(5-14-2)10(7)12/h3-4,6,13H,5H2,1-2H3.
What are the key properties of 1-[2,4-difluoro-3-(methoxymethyl)phenyl]ethanol?
1-[2,4-difluoro-3-(methoxymethyl)phenyl]ethanol has a molecular weight of 202.20 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-difluoro-3-(methoxymethyl)phenyl]ethanol is sourced from PubChem (CID 117290657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).