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

C14H14F2O2S — CID 115800352

IUPAC1-[3-(difluoromethoxy)phenyl]-3-thiophen-2-ylpropan-1-ol
SMILESOC(CCc1cccs1)c1cccc(OC(F)F)c1
InChIInChI=1S/C14H14F2O2S/c15-14(16)18-11-4-1-3-10(9-11)13(17)7-6-12-5-2-8-19-12/h1-5,8-9,13-14,17H,6-7H2
InChIKeyQWLSMNLXBSPYLK-UHFFFAOYSA-N
MW284.33 g/mol
LogP4.02
Rot. Bonds6

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

1-[3-(difluoromethoxy)phenyl]-3-thiophen-2-ylpropan-1-ol (PubChem CID 115800352) has the molecular formula C14H14F2O2S and a molecular weight of 284.33 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)phenyl]-3-thiophen-2-ylpropan-1-ol.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)phenyl]-3-thiophen-2-ylpropan-1-ol
PubChem CID115800352
Molecular FormulaC14H14F2O2S
Molecular Weight284.33 g/mol
Exact Mass284.07
IUPAC Name1-[3-(difluoromethoxy)phenyl]-3-thiophen-2-ylpropan-1-ol
SMILESOC(CCc1cccs1)c1cccc(OC(F)F)c1
InChIInChI=1S/C14H14F2O2S/c15-14(16)18-11-4-1-3-10(9-11)13(17)7-6-12-5-2-8-19-12/h1-5,8-9,13-14,17H,6-7H2
InChIKeyQWLSMNLXBSPYLK-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

1-(3-propoxyphenyl)-3-thiophen-2-ylpropan-1-ol
CID 65146129
1-[3-(difluoromethoxy)phenyl]-3-thiophen-2-ylpropan-1-one
CID 114973227
1-[3-(difluoromethoxy)phenyl]propan-1-ol
CID 115787675
1-[3-(difluoromethoxy)phenyl]pent-4-en-1-ol
CID 115804584
1-[3-(difluoromethoxy)phenyl]hex-5-yn-1-ol
CID 115831710
1-[4-(difluoromethoxy)phenyl]-2-thiophen-2-ylethanol
CID 55151573
1-(3-chloro-4-fluorophenyl)-3-thiophen-2-ylpropan-1-ol
CID 63773688
1-(4-chloro-3-fluorophenyl)-3-thiophen-2-ylpropan-1-ol
CID 65149932
1-[4-bromo-3-(trifluoromethyl)phenyl]-3-thiophen-2-ylpropan-1-ol
CID 115800331
1-[3-(difluoromethoxy)phenyl]oct-7-en-1-ol
CID 107012185
1-[3-(difluoromethoxy)phenyl]-4-ethylsulfonylbutan-1-ol
CID 115803658
4-thiophen-2-yl-1-[3-(trifluoromethoxy)phenyl]butan-1-amine
CID 105145864

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)phenyl]-3-thiophen-2-ylpropan-1-ol?
The IUPAC name of 1-[3-(difluoromethoxy)phenyl]-3-thiophen-2-ylpropan-1-ol (CID 115800352) is 1-[3-(difluoromethoxy)phenyl]-3-thiophen-2-ylpropan-1-ol.
What is the SMILES notation for 1-[3-(difluoromethoxy)phenyl]-3-thiophen-2-ylpropan-1-ol?
The canonical SMILES for 1-[3-(difluoromethoxy)phenyl]-3-thiophen-2-ylpropan-1-ol is OC(CCc1cccs1)c1cccc(OC(F)F)c1.
What is the InChIKey of 1-[3-(difluoromethoxy)phenyl]-3-thiophen-2-ylpropan-1-ol?
The InChIKey is QWLSMNLXBSPYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2O2S/c15-14(16)18-11-4-1-3-10(9-11)13(17)7-6-12-5-2-8-19-12/h1-5,8-9,13-14,17H,6-7H2.
What are the key properties of 1-[3-(difluoromethoxy)phenyl]-3-thiophen-2-ylpropan-1-ol?
1-[3-(difluoromethoxy)phenyl]-3-thiophen-2-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-[3-(difluoromethoxy)phenyl]-3-thiophen-2-ylpropan-1-ol is sourced from PubChem (CID 115800352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).