[3-fluoro-4-(3-fluorophenoxy)phenyl]methanol

C13H10F2O2 — CID 28946122

IUPAC[3-fluoro-4-(3-fluorophenoxy)phenyl]methanol
SMILESOCc1ccc(Oc2cccc(F)c2)c(F)c1
InChIInChI=1S/C13H10F2O2/c14-10-2-1-3-11(7-10)17-13-5-4-9(8-16)6-12(13)15/h1-7,16H,8H2
InChIKeyKXMXFCRWBSCWRJ-UHFFFAOYSA-N
MW236.22 g/mol
LogP3.25
Rot. Bonds3

About [3-fluoro-4-(3-fluorophenoxy)phenyl]methanol

[3-fluoro-4-(3-fluorophenoxy)phenyl]methanol (PubChem CID 28946122) has the molecular formula C13H10F2O2 and a molecular weight of 236.22 g/mol. Its IUPAC name is [3-fluoro-4-(3-fluorophenoxy)phenyl]methanol.

Molecular Properties

Compound Name[3-fluoro-4-(3-fluorophenoxy)phenyl]methanol
PubChem CID28946122
Molecular FormulaC13H10F2O2
Molecular Weight236.22 g/mol
Exact Mass236.06
IUPAC Name[3-fluoro-4-(3-fluorophenoxy)phenyl]methanol
SMILESOCc1ccc(Oc2cccc(F)c2)c(F)c1
InChIInChI=1S/C13H10F2O2/c14-10-2-1-3-11(7-10)17-13-5-4-9(8-16)6-12(13)15/h1-7,16H,8H2
InChIKeyKXMXFCRWBSCWRJ-UHFFFAOYSA-N
XLogP3.25
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.22
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-fluoro-4-(3-fluorophenoxy)phenyl]ethanol
CID 71240329
[4-(3,5-difluorophenoxy)-3-fluorophenyl]methanol
CID 55112239
(3-fluoro-4-phenoxyphenyl)methanol
CID 28946102
[3-fluoro-4-(3-fluorophenoxy)phenyl]methanamine
CID 28966240
[4-(3-ethylphenoxy)-3-fluorophenyl]methanol
CID 28945816
[3-(3-fluorophenoxy)phenyl]methanol
CID 13255235
N-[[3-fluoro-4-(3-fluorophenoxy)phenyl]methyl]propan-2-amine
CID 43283333
[4-(4-bromo-3-fluorophenoxy)-3-fluorophenyl]methanol
CID 65201220
[4-(4-chloro-3-fluorophenoxy)-3-fluorophenyl]methanol
CID 82716427
[4-(3,4-dichlorophenoxy)-3-fluorophenyl]methanol
CID 54898336
3-fluoro-4-[3-(hydroxymethyl)phenoxy]benzamide
CID 79869376
[4-[4-(aminomethyl)-2-fluorophenoxy]phenyl]methanol
CID 61227389

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-(3-fluorophenoxy)phenyl]methanol?
The IUPAC name of [3-fluoro-4-(3-fluorophenoxy)phenyl]methanol (CID 28946122) is [3-fluoro-4-(3-fluorophenoxy)phenyl]methanol.
What is the SMILES notation for [3-fluoro-4-(3-fluorophenoxy)phenyl]methanol?
The canonical SMILES for [3-fluoro-4-(3-fluorophenoxy)phenyl]methanol is OCc1ccc(Oc2cccc(F)c2)c(F)c1.
What is the InChIKey of [3-fluoro-4-(3-fluorophenoxy)phenyl]methanol?
The InChIKey is KXMXFCRWBSCWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2O2/c14-10-2-1-3-11(7-10)17-13-5-4-9(8-16)6-12(13)15/h1-7,16H,8H2.
What are the key properties of [3-fluoro-4-(3-fluorophenoxy)phenyl]methanol?
[3-fluoro-4-(3-fluorophenoxy)phenyl]methanol has a molecular weight of 236.22 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-(3-fluorophenoxy)phenyl]methanol is sourced from PubChem (CID 28946122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).