2-[2-[(4-fluorophenyl)methyl]thiophen-3-yl]ethanol

C13H13FOS — CID 57428830

IUPAC2-[2-[(4-fluorophenyl)methyl]thiophen-3-yl]ethanol
SMILESOCCc1ccsc1Cc1ccc(F)cc1
InChIInChI=1S/C13H13FOS/c14-12-3-1-10(2-4-12)9-13-11(5-7-15)6-8-16-13/h1-4,6,8,15H,5,7,9H2
InChIKeyYXZPXUPASKMWTM-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.01
Rot. Bonds4

About 2-[2-[(4-fluorophenyl)methyl]thiophen-3-yl]ethanol

2-[2-[(4-fluorophenyl)methyl]thiophen-3-yl]ethanol (PubChem CID 57428830) has the molecular formula C13H13FOS and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-[2-[(4-fluorophenyl)methyl]thiophen-3-yl]ethanol.

Molecular Properties

Compound Name2-[2-[(4-fluorophenyl)methyl]thiophen-3-yl]ethanol
PubChem CID57428830
Molecular FormulaC13H13FOS
Molecular Weight236.31 g/mol
Exact Mass236.07
IUPAC Name2-[2-[(4-fluorophenyl)methyl]thiophen-3-yl]ethanol
SMILESOCCc1ccsc1Cc1ccc(F)cc1
InChIInChI=1S/C13H13FOS/c14-12-3-1-10(2-4-12)9-13-11(5-7-15)6-8-16-13/h1-4,6,8,15H,5,7,9H2
InChIKeyYXZPXUPASKMWTM-UHFFFAOYSA-N
XLogP3.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-fluorophenyl)methyl]thiophen-3-yl]ethanol?
The IUPAC name of 2-[2-[(4-fluorophenyl)methyl]thiophen-3-yl]ethanol (CID 57428830) is 2-[2-[(4-fluorophenyl)methyl]thiophen-3-yl]ethanol.
What is the SMILES notation for 2-[2-[(4-fluorophenyl)methyl]thiophen-3-yl]ethanol?
The canonical SMILES for 2-[2-[(4-fluorophenyl)methyl]thiophen-3-yl]ethanol is OCCc1ccsc1Cc1ccc(F)cc1.
What is the InChIKey of 2-[2-[(4-fluorophenyl)methyl]thiophen-3-yl]ethanol?
The InChIKey is YXZPXUPASKMWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FOS/c14-12-3-1-10(2-4-12)9-13-11(5-7-15)6-8-16-13/h1-4,6,8,15H,5,7,9H2.
What are the key properties of 2-[2-[(4-fluorophenyl)methyl]thiophen-3-yl]ethanol?
2-[2-[(4-fluorophenyl)methyl]thiophen-3-yl]ethanol has a molecular weight of 236.31 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-fluorophenyl)methyl]thiophen-3-yl]ethanol is sourced from PubChem (CID 57428830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).