1-[2-(difluoromethoxy)phenyl]-3-thiophen-3-ylpropan-1-ol

C14H14F2O2S — CID 65150759

IUPAC1-[2-(difluoromethoxy)phenyl]-3-thiophen-3-ylpropan-1-ol
SMILESOC(CCc1ccsc1)c1ccccc1OC(F)F
InChIInChI=1S/C14H14F2O2S/c15-14(16)18-13-4-2-1-3-11(13)12(17)6-5-10-7-8-19-9-10/h1-4,7-9,12,14,17H,5-6H2
InChIKeySSOUAHLCDOSRAM-UHFFFAOYSA-N
MW284.33 g/mol
LogP4.02
Rot. Bonds6

About 1-[2-(difluoromethoxy)phenyl]-3-thiophen-3-ylpropan-1-ol

1-[2-(difluoromethoxy)phenyl]-3-thiophen-3-ylpropan-1-ol (PubChem CID 65150759) has the molecular formula C14H14F2O2S and a molecular weight of 284.33 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)phenyl]-3-thiophen-3-ylpropan-1-ol.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)phenyl]-3-thiophen-3-ylpropan-1-ol
PubChem CID65150759
Molecular FormulaC14H14F2O2S
Molecular Weight284.33 g/mol
Exact Mass284.07
IUPAC Name1-[2-(difluoromethoxy)phenyl]-3-thiophen-3-ylpropan-1-ol
SMILESOC(CCc1ccsc1)c1ccccc1OC(F)F
InChIInChI=1S/C14H14F2O2S/c15-14(16)18-13-4-2-1-3-11(13)12(17)6-5-10-7-8-19-9-10/h1-4,7-9,12,14,17H,5-6H2
InChIKeySSOUAHLCDOSRAM-UHFFFAOYSA-N
XLogP4.02
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 65150664
(1S)-1-[2-(difluoromethoxy)phenyl]propan-1-ol
CID 78930737
1-[2-(difluoromethoxy)phenyl]-5-methylhexan-1-ol
CID 83158841
1-[2-(difluoromethoxy)phenyl]-N-ethyl-2-thiophen-3-ylethanamine
CID 61078567
1-[2-(difluoromethoxy)phenyl]pent-4-yn-1-ol
CID 63894225
N-[2-(difluoromethoxy)phenyl]-2-thiophen-3-ylacetamide
CID 7941457
1-(2-chlorofuran-3-yl)-3-thiophen-3-ylpropan-1-ol
CID 106693735
1-[2-(difluoromethoxy)phenyl]-3-methylbutan-1-ol
CID 63893645
1-[2-(difluoromethoxy)phenyl]-2-(3,5-dimethylphenyl)ethanol
CID 63894999
1-[2-(difluoromethoxy)phenyl]-3-phenylpropan-1-amine
CID 115794253
1-[2-(difluoromethoxy)phenyl]-2-(3-methylphenyl)ethanol
CID 63017552
1-(2-bromo-6-fluorophenyl)-3-thiophen-3-ylpropan-1-ol
CID 114885636

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)phenyl]-3-thiophen-3-ylpropan-1-ol?
The IUPAC name of 1-[2-(difluoromethoxy)phenyl]-3-thiophen-3-ylpropan-1-ol (CID 65150759) is 1-[2-(difluoromethoxy)phenyl]-3-thiophen-3-ylpropan-1-ol.
What is the SMILES notation for 1-[2-(difluoromethoxy)phenyl]-3-thiophen-3-ylpropan-1-ol?
The canonical SMILES for 1-[2-(difluoromethoxy)phenyl]-3-thiophen-3-ylpropan-1-ol is OC(CCc1ccsc1)c1ccccc1OC(F)F.
What is the InChIKey of 1-[2-(difluoromethoxy)phenyl]-3-thiophen-3-ylpropan-1-ol?
The InChIKey is SSOUAHLCDOSRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2O2S/c15-14(16)18-13-4-2-1-3-11(13)12(17)6-5-10-7-8-19-9-10/h1-4,7-9,12,14,17H,5-6H2.
What are the key properties of 1-[2-(difluoromethoxy)phenyl]-3-thiophen-3-ylpropan-1-ol?
1-[2-(difluoromethoxy)phenyl]-3-thiophen-3-ylpropan-1-ol has a molecular weight of 284.33 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)phenyl]-3-thiophen-3-ylpropan-1-ol is sourced from PubChem (CID 65150759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).