1-[2-[(5-ethylthiophen-2-yl)methoxy]-4-fluorophenyl]ethanol

C15H17FO2S — CID 55147074

IUPAC1-[2-[(5-ethylthiophen-2-yl)methoxy]-4-fluorophenyl]ethanol
SMILESCCc1ccc(COc2cc(F)ccc2C(C)O)s1
InChIInChI=1S/C15H17FO2S/c1-3-12-5-6-13(19-12)9-18-15-8-11(16)4-7-14(15)10(2)17/h4-8,10,17H,3,9H2,1-2H3
InChIKeyZFRSUORBEJDUEF-UHFFFAOYSA-N
MW280.36 g/mol
LogP4.08
Rot. Bonds5

About 1-[2-[(5-ethylthiophen-2-yl)methoxy]-4-fluorophenyl]ethanol

1-[2-[(5-ethylthiophen-2-yl)methoxy]-4-fluorophenyl]ethanol (PubChem CID 55147074) has the molecular formula C15H17FO2S and a molecular weight of 280.36 g/mol. Its IUPAC name is 1-[2-[(5-ethylthiophen-2-yl)methoxy]-4-fluorophenyl]ethanol.

Molecular Properties

Compound Name1-[2-[(5-ethylthiophen-2-yl)methoxy]-4-fluorophenyl]ethanol
PubChem CID55147074
Molecular FormulaC15H17FO2S
Molecular Weight280.36 g/mol
Exact Mass280.09
IUPAC Name1-[2-[(5-ethylthiophen-2-yl)methoxy]-4-fluorophenyl]ethanol
SMILESCCc1ccc(COc2cc(F)ccc2C(C)O)s1
InChIInChI=1S/C15H17FO2S/c1-3-12-5-6-13(19-12)9-18-15-8-11(16)4-7-14(15)10(2)17/h4-8,10,17H,3,9H2,1-2H3
InChIKeyZFRSUORBEJDUEF-UHFFFAOYSA-N
XLogP4.08
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-ethylthiophen-2-yl)methoxy]-4-fluorophenyl]ethanol?
The IUPAC name of 1-[2-[(5-ethylthiophen-2-yl)methoxy]-4-fluorophenyl]ethanol (CID 55147074) is 1-[2-[(5-ethylthiophen-2-yl)methoxy]-4-fluorophenyl]ethanol.
What is the SMILES notation for 1-[2-[(5-ethylthiophen-2-yl)methoxy]-4-fluorophenyl]ethanol?
The canonical SMILES for 1-[2-[(5-ethylthiophen-2-yl)methoxy]-4-fluorophenyl]ethanol is CCc1ccc(COc2cc(F)ccc2C(C)O)s1.
What is the InChIKey of 1-[2-[(5-ethylthiophen-2-yl)methoxy]-4-fluorophenyl]ethanol?
The InChIKey is ZFRSUORBEJDUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FO2S/c1-3-12-5-6-13(19-12)9-18-15-8-11(16)4-7-14(15)10(2)17/h4-8,10,17H,3,9H2,1-2H3.
What are the key properties of 1-[2-[(5-ethylthiophen-2-yl)methoxy]-4-fluorophenyl]ethanol?
1-[2-[(5-ethylthiophen-2-yl)methoxy]-4-fluorophenyl]ethanol has a molecular weight of 280.36 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-ethylthiophen-2-yl)methoxy]-4-fluorophenyl]ethanol is sourced from PubChem (CID 55147074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).