3-[4-(2,4-difluorophenoxy)phenyl]but-2-en-1-ol

C16H14F2O2 — CID 54201051

IUPAC3-[4-(2,4-difluorophenoxy)phenyl]but-2-en-1-ol
SMILESCC(=CCO)c1ccc(Oc2ccc(F)cc2F)cc1
InChIInChI=1S/C16H14F2O2/c1-11(8-9-19)12-2-5-14(6-3-12)20-16-7-4-13(17)10-15(16)18/h2-8,10,19H,9H2,1H3
InChIKeyPPGUNPOCGUIVJN-UHFFFAOYSA-N
MW276.28 g/mol
LogP4.15
Rot. Bonds4

About 3-[4-(2,4-difluorophenoxy)phenyl]but-2-en-1-ol

3-[4-(2,4-difluorophenoxy)phenyl]but-2-en-1-ol (PubChem CID 54201051) has the molecular formula C16H14F2O2 and a molecular weight of 276.28 g/mol. Its IUPAC name is 3-[4-(2,4-difluorophenoxy)phenyl]but-2-en-1-ol.

Molecular Properties

Compound Name3-[4-(2,4-difluorophenoxy)phenyl]but-2-en-1-ol
PubChem CID54201051
Molecular FormulaC16H14F2O2
Molecular Weight276.28 g/mol
Exact Mass276.10
IUPAC Name3-[4-(2,4-difluorophenoxy)phenyl]but-2-en-1-ol
SMILESCC(=CCO)c1ccc(Oc2ccc(F)cc2F)cc1
InChIInChI=1S/C16H14F2O2/c1-11(8-9-19)12-2-5-14(6-3-12)20-16-7-4-13(17)10-15(16)18/h2-8,10,19H,9H2,1H3
InChIKeyPPGUNPOCGUIVJN-UHFFFAOYSA-N
XLogP4.15
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(2,4-difluorophenoxy)phenyl]-N,N-diethylbut-2-en-1-amine
CID 54389174
3-[4-(2,4-difluorophenyl)phenyl]but-2-en-1-ol
CID 54113945
1-(4-ethylphenoxy)-2,4-difluorobenzene
CID 70811757
4-(2,4-difluorophenoxy)benzoyl chloride
CID 90119275
3-chloro-1-[4-(2,4-difluorophenoxy)phenyl]propan-1-one
CID 21322566
1-(4-tert-butylphenoxy)-2,4-difluorobenzene
CID 70799684
N-(4-amino-4-oxobutyl)-4-(2,4-difluorophenoxy)benzamide
CID 56788122
4-(2,4-difluorophenoxy)-2-methylbenzenecarbothioamide
CID 81277855
4-(2,4-difluorophenoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 43658337
2-fluoro-1-(4-fluorophenoxy)-4-methoxybenzene
CID 174755555
3-fluoro-4-(4-hydroxyphenoxy)benzamide
CID 60870089
(E)-4-(3-fluoro-4-methoxyphenyl)pent-3-en-1-amine
CID 63970099

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,4-difluorophenoxy)phenyl]but-2-en-1-ol?
The IUPAC name of 3-[4-(2,4-difluorophenoxy)phenyl]but-2-en-1-ol (CID 54201051) is 3-[4-(2,4-difluorophenoxy)phenyl]but-2-en-1-ol.
What is the SMILES notation for 3-[4-(2,4-difluorophenoxy)phenyl]but-2-en-1-ol?
The canonical SMILES for 3-[4-(2,4-difluorophenoxy)phenyl]but-2-en-1-ol is CC(=CCO)c1ccc(Oc2ccc(F)cc2F)cc1.
What is the InChIKey of 3-[4-(2,4-difluorophenoxy)phenyl]but-2-en-1-ol?
The InChIKey is PPGUNPOCGUIVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2O2/c1-11(8-9-19)12-2-5-14(6-3-12)20-16-7-4-13(17)10-15(16)18/h2-8,10,19H,9H2,1H3.
What are the key properties of 3-[4-(2,4-difluorophenoxy)phenyl]but-2-en-1-ol?
3-[4-(2,4-difluorophenoxy)phenyl]but-2-en-1-ol has a molecular weight of 276.28 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,4-difluorophenoxy)phenyl]but-2-en-1-ol is sourced from PubChem (CID 54201051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).