1-(2-fluoro-3-methoxyphenyl)-3-thiophen-3-ylpropan-2-ol

C14H15FO2S — CID 105125769

IUPAC1-(2-fluoro-3-methoxyphenyl)-3-thiophen-3-ylpropan-2-ol
SMILESCOc1cccc(CC(O)Cc2ccsc2)c1F
InChIInChI=1S/C14H15FO2S/c1-17-13-4-2-3-11(14(13)15)8-12(16)7-10-5-6-18-9-10/h2-6,9,12,16H,7-8H2,1H3
InChIKeyQRPWMZDYOHQLIR-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.04
Rot. Bonds5

About 1-(2-fluoro-3-methoxyphenyl)-3-thiophen-3-ylpropan-2-ol

1-(2-fluoro-3-methoxyphenyl)-3-thiophen-3-ylpropan-2-ol (PubChem CID 105125769) has the molecular formula C14H15FO2S and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-(2-fluoro-3-methoxyphenyl)-3-thiophen-3-ylpropan-2-ol.

Molecular Properties

Compound Name1-(2-fluoro-3-methoxyphenyl)-3-thiophen-3-ylpropan-2-ol
PubChem CID105125769
Molecular FormulaC14H15FO2S
Molecular Weight266.34 g/mol
Exact Mass266.08
IUPAC Name1-(2-fluoro-3-methoxyphenyl)-3-thiophen-3-ylpropan-2-ol
SMILESCOc1cccc(CC(O)Cc2ccsc2)c1F
InChIInChI=1S/C14H15FO2S/c1-17-13-4-2-3-11(14(13)15)8-12(16)7-10-5-6-18-9-10/h2-6,9,12,16H,7-8H2,1H3
InChIKeyQRPWMZDYOHQLIR-UHFFFAOYSA-N
XLogP3.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluoro-3-methoxyphenyl)-N-methyl-3-thiophen-3-ylpropan-2-amine
CID 105180556
1-(2-fluoro-3-methoxyphenyl)-3-(3-methoxyphenyl)propan-2-ol
CID 104793575
1-(2-fluoro-3-methoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol
CID 104793596
1-(2-methylphenyl)-3-thiophen-3-ylpropan-2-ol
CID 62607480
2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-thiophen-3-ylethanamine
CID 113453772
1-(2-fluoro-3-methoxyphenyl)-3-propan-2-ylsulfanylpropan-2-ol
CID 104793618
1-(2-fluoro-3-methoxyphenyl)-4-pyridin-4-ylbutan-2-ol
CID 105125656
2-(2-fluoro-3-methoxyphenyl)-1-(1,3-thiazol-4-yl)ethanol
CID 113453764
1,1,1-trifluoro-3-(2-fluoro-3-methoxyphenyl)propan-2-ol
CID 104793601
N-[1-(2-fluoro-3-methoxyphenyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 105174794
2-(2-fluoro-3-methoxyphenyl)-1-[3-(methoxymethyl)phenyl]ethanol
CID 104793170
1-(3-methylphenyl)-3-thiophen-3-ylpropan-2-ol
CID 62608058

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-3-thiophen-3-ylpropan-2-ol?
The IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-3-thiophen-3-ylpropan-2-ol (CID 105125769) is 1-(2-fluoro-3-methoxyphenyl)-3-thiophen-3-ylpropan-2-ol.
What is the SMILES notation for 1-(2-fluoro-3-methoxyphenyl)-3-thiophen-3-ylpropan-2-ol?
The canonical SMILES for 1-(2-fluoro-3-methoxyphenyl)-3-thiophen-3-ylpropan-2-ol is COc1cccc(CC(O)Cc2ccsc2)c1F.
What is the InChIKey of 1-(2-fluoro-3-methoxyphenyl)-3-thiophen-3-ylpropan-2-ol?
The InChIKey is QRPWMZDYOHQLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FO2S/c1-17-13-4-2-3-11(14(13)15)8-12(16)7-10-5-6-18-9-10/h2-6,9,12,16H,7-8H2,1H3.
What are the key properties of 1-(2-fluoro-3-methoxyphenyl)-3-thiophen-3-ylpropan-2-ol?
1-(2-fluoro-3-methoxyphenyl)-3-thiophen-3-ylpropan-2-ol has a molecular weight of 266.34 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-methoxyphenyl)-3-thiophen-3-ylpropan-2-ol is sourced from PubChem (CID 105125769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).