2-[3-fluoro-4-(3-fluorophenoxy)phenyl]ethanol

C14H12F2O2 — CID 71240329

IUPAC2-[3-fluoro-4-(3-fluorophenoxy)phenyl]ethanol
SMILESOCCc1ccc(Oc2cccc(F)c2)c(F)c1
InChIInChI=1S/C14H12F2O2/c15-11-2-1-3-12(9-11)18-14-5-4-10(6-7-17)8-13(14)16/h1-5,8-9,17H,6-7H2
InChIKeyHUMFJWGRQXOAOE-UHFFFAOYSA-N
MW250.24 g/mol
LogP3.29
Rot. Bonds4

About 2-[3-fluoro-4-(3-fluorophenoxy)phenyl]ethanol

2-[3-fluoro-4-(3-fluorophenoxy)phenyl]ethanol (PubChem CID 71240329) has the molecular formula C14H12F2O2 and a molecular weight of 250.24 g/mol. Its IUPAC name is 2-[3-fluoro-4-(3-fluorophenoxy)phenyl]ethanol.

Molecular Properties

Compound Name2-[3-fluoro-4-(3-fluorophenoxy)phenyl]ethanol
PubChem CID71240329
Molecular FormulaC14H12F2O2
Molecular Weight250.24 g/mol
Exact Mass250.08
IUPAC Name2-[3-fluoro-4-(3-fluorophenoxy)phenyl]ethanol
SMILESOCCc1ccc(Oc2cccc(F)c2)c(F)c1
InChIInChI=1S/C14H12F2O2/c15-11-2-1-3-12(9-11)18-14-5-4-10(6-7-17)8-13(14)16/h1-5,8-9,17H,6-7H2
InChIKeyHUMFJWGRQXOAOE-UHFFFAOYSA-N
XLogP3.29
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.24
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-fluoro-4-(3-fluorophenoxy)phenyl]methanol
CID 28946122
[3-fluoro-4-(3-fluorophenoxy)phenyl]methanamine
CID 28966240
N-[[3-fluoro-4-(3-fluorophenoxy)phenyl]methyl]propan-2-amine
CID 43283333
[4-(3,5-difluorophenoxy)-3-fluorophenyl]methanol
CID 55112239
(3-fluoro-4-phenoxyphenyl)methanol
CID 28946102
2-[4-(3-chlorophenoxy)-3-fluorophenyl]ethanamine
CID 55238186
[4-(3-ethylphenoxy)-3-fluorophenyl]methanol
CID 28945816
2-[3-fluoro-4-(3-methylphenoxy)phenyl]ethanamine
CID 63802270
[3-(3-fluorophenoxy)phenyl]methanol
CID 13255235
3-fluoro-4-[4-(2-hydroxyethyl)phenoxy]benzoic acid
CID 104629499
2-[4-(3-chloropropoxy)-3-fluorophenyl]ethanol
CID 154628107
3-fluoro-4-[4-(2-hydroxyethyl)phenoxy]benzamide
CID 107709668

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-(3-fluorophenoxy)phenyl]ethanol?
The IUPAC name of 2-[3-fluoro-4-(3-fluorophenoxy)phenyl]ethanol (CID 71240329) is 2-[3-fluoro-4-(3-fluorophenoxy)phenyl]ethanol.
What is the SMILES notation for 2-[3-fluoro-4-(3-fluorophenoxy)phenyl]ethanol?
The canonical SMILES for 2-[3-fluoro-4-(3-fluorophenoxy)phenyl]ethanol is OCCc1ccc(Oc2cccc(F)c2)c(F)c1.
What is the InChIKey of 2-[3-fluoro-4-(3-fluorophenoxy)phenyl]ethanol?
The InChIKey is HUMFJWGRQXOAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2O2/c15-11-2-1-3-12(9-11)18-14-5-4-10(6-7-17)8-13(14)16/h1-5,8-9,17H,6-7H2.
What are the key properties of 2-[3-fluoro-4-(3-fluorophenoxy)phenyl]ethanol?
2-[3-fluoro-4-(3-fluorophenoxy)phenyl]ethanol has a molecular weight of 250.24 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-(3-fluorophenoxy)phenyl]ethanol is sourced from PubChem (CID 71240329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).