1-(2,4-difluorophenoxy)-3-phenoxypropan-2-ol

C15H14F2O3 — CID 109415416

IUPAC1-(2,4-difluorophenoxy)-3-phenoxypropan-2-ol
SMILESOC(COc1ccccc1)COc1ccc(F)cc1F
InChIInChI=1S/C15H14F2O3/c16-11-6-7-15(14(17)8-11)20-10-12(18)9-19-13-4-2-1-3-5-13/h1-8,12,18H,9-10H2
InChIKeyTULGMFSIWKHWED-UHFFFAOYSA-N
MW280.27 g/mol
LogP2.78
Rot. Bonds6

About 1-(2,4-difluorophenoxy)-3-phenoxypropan-2-ol

1-(2,4-difluorophenoxy)-3-phenoxypropan-2-ol (PubChem CID 109415416) has the molecular formula C15H14F2O3 and a molecular weight of 280.27 g/mol. Its IUPAC name is 1-(2,4-difluorophenoxy)-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name1-(2,4-difluorophenoxy)-3-phenoxypropan-2-ol
PubChem CID109415416
Molecular FormulaC15H14F2O3
Molecular Weight280.27 g/mol
Exact Mass280.09
IUPAC Name1-(2,4-difluorophenoxy)-3-phenoxypropan-2-ol
SMILESOC(COc1ccccc1)COc1ccc(F)cc1F
InChIInChI=1S/C15H14F2O3/c16-11-6-7-15(14(17)8-11)20-10-12(18)9-19-13-4-2-1-3-5-13/h1-8,12,18H,9-10H2
InChIKeyTULGMFSIWKHWED-UHFFFAOYSA-N
XLogP2.78
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-aminophenoxy)-3-(3-fluorophenoxy)propan-2-ol
CID 62268649
1-(2,5-difluoroanilino)-3-phenoxypropan-2-ol
CID 60897880
1,3-bis(4-fluorophenoxy)propan-2-ol
CID 109412822
4-[3-(4-cyanophenoxy)-2-hydroxypropoxy]-3-fluorobenzonitrile
CID 91646282
1-(3-aminophenoxy)-3-(2,5-difluorophenoxy)propan-2-ol
CID 63268739
(2R)-1-fluoro-3-phenoxypropan-2-ol
CID 100942917
1-[(2,4-difluorophenyl)methyl-propan-2-ylamino]-3-phenoxypropan-2-ol
CID 42682400
(2R)-1-[benzyl-[(2,4-difluorophenyl)methyl]amino]-3-phenoxypropan-2-ol
CID 93164801
1-(3-aminophenoxy)-3-(4-bromo-2-fluorophenoxy)propan-2-ol
CID 62269361
1-(2,4-difluorophenyl)-2-(2-fluorophenoxy)ethanol
CID 109412665
(2R)-3-(2,4-difluorophenoxy)-2-methylpropanoic acid
CID 59456425
1-(2-aminophenoxy)-3-(2-fluorophenoxy)propan-2-ol
CID 62269719

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenoxy)-3-phenoxypropan-2-ol?
The IUPAC name of 1-(2,4-difluorophenoxy)-3-phenoxypropan-2-ol (CID 109415416) is 1-(2,4-difluorophenoxy)-3-phenoxypropan-2-ol.
What is the SMILES notation for 1-(2,4-difluorophenoxy)-3-phenoxypropan-2-ol?
The canonical SMILES for 1-(2,4-difluorophenoxy)-3-phenoxypropan-2-ol is OC(COc1ccccc1)COc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenoxy)-3-phenoxypropan-2-ol?
The InChIKey is TULGMFSIWKHWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2O3/c16-11-6-7-15(14(17)8-11)20-10-12(18)9-19-13-4-2-1-3-5-13/h1-8,12,18H,9-10H2.
What are the key properties of 1-(2,4-difluorophenoxy)-3-phenoxypropan-2-ol?
1-(2,4-difluorophenoxy)-3-phenoxypropan-2-ol has a molecular weight of 280.27 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenoxy)-3-phenoxypropan-2-ol is sourced from PubChem (CID 109415416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).