2-(3-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethanol

C13H13FO2S — CID 81129535

IUPAC2-(3-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethanol
SMILESCOc1ccsc1C(O)Cc1cccc(F)c1
InChIInChI=1S/C13H13FO2S/c1-16-12-5-6-17-13(12)11(15)8-9-3-2-4-10(14)7-9/h2-7,11,15H,8H2,1H3
InChIKeyPLSNDVREUBOZSN-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.17
Rot. Bonds4

About 2-(3-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethanol

2-(3-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethanol (PubChem CID 81129535) has the molecular formula C13H13FO2S and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethanol
PubChem CID81129535
Molecular FormulaC13H13FO2S
Molecular Weight252.31 g/mol
Exact Mass252.06
IUPAC Name2-(3-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethanol
SMILESCOc1ccsc1C(O)Cc1cccc(F)c1
InChIInChI=1S/C13H13FO2S/c1-16-12-5-6-17-13(12)11(15)8-9-3-2-4-10(14)7-9/h2-7,11,15H,8H2,1H3
InChIKeyPLSNDVREUBOZSN-UHFFFAOYSA-N
XLogP3.17
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethylphenyl)-1-(3-methoxythiophen-2-yl)ethanol
CID 81129167
1-(3-methoxythiophen-2-yl)-2-pyridin-3-ylethanol
CID 115832109
1-(3-fluoro-4-methoxyphenyl)-2-(3-fluorophenyl)ethanol
CID 61082269
1-(3,5-dimethoxyphenyl)-2-(3-fluorophenyl)ethanol
CID 63016216
1-(3-fluoro-4-methoxyphenyl)-3-(3-fluorophenyl)propan-2-ol
CID 62608783
(3-fluorophenyl)-(3-methoxythiophen-2-yl)methanamine
CID 115791862
2-(3-methoxyphenyl)-1-(3-methylthiophen-2-yl)ethanol
CID 55006586
N-[(3-fluorophenyl)-(3-methoxythiophen-2-yl)methyl]ethanamine
CID 115792372
2-[1-bromo-2-(3-fluorophenyl)ethyl]-1,3-dimethoxybenzene
CID 63543671
2-(5-bromothiophen-2-yl)-1-(3-methoxythiophen-2-yl)ethanol
CID 115785760
2-(5-chlorothiophen-2-yl)-1-(3-methoxythiophen-2-yl)ethanol
CID 115786008
2-(3-methoxyphenyl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine
CID 81121763

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethanol?
The IUPAC name of 2-(3-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethanol (CID 81129535) is 2-(3-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethanol.
What is the SMILES notation for 2-(3-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethanol?
The canonical SMILES for 2-(3-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethanol is COc1ccsc1C(O)Cc1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethanol?
The InChIKey is PLSNDVREUBOZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FO2S/c1-16-12-5-6-17-13(12)11(15)8-9-3-2-4-10(14)7-9/h2-7,11,15H,8H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethanol?
2-(3-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethanol has a molecular weight of 252.31 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethanol is sourced from PubChem (CID 81129535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).