(2-ethoxyphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol

C17H15FO2S — CID 115795636

IUPAC(2-ethoxyphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol
SMILESCCOc1ccccc1C(O)c1cc2ccc(F)cc2s1
InChIInChI=1S/C17H15FO2S/c1-2-20-14-6-4-3-5-13(14)17(19)16-9-11-7-8-12(18)10-15(11)21-16/h3-10,17,19H,2H2,1H3
InChIKeyZTVYXULVUKNSBF-UHFFFAOYSA-N
MW302.37 g/mol
LogP4.52
Rot. Bonds4

About (2-ethoxyphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol

(2-ethoxyphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol (PubChem CID 115795636) has the molecular formula C17H15FO2S and a molecular weight of 302.37 g/mol. Its IUPAC name is (2-ethoxyphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol.

Molecular Properties

Compound Name(2-ethoxyphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol
PubChem CID115795636
Molecular FormulaC17H15FO2S
Molecular Weight302.37 g/mol
Exact Mass302.08
IUPAC Name(2-ethoxyphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol
SMILESCCOc1ccccc1C(O)c1cc2ccc(F)cc2s1
InChIInChI=1S/C17H15FO2S/c1-2-20-14-6-4-3-5-13(14)17(19)16-9-11-7-8-12(18)10-15(11)21-16/h3-10,17,19H,2H2,1H3
InChIKeyZTVYXULVUKNSBF-UHFFFAOYSA-N
XLogP4.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,4-difluoro-5-methylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol
CID 81105622
(4-bromophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol
CID 81104251
1-(6-fluoro-1-benzothiophen-2-yl)-2-methoxyethanol
CID 115819038
(5-bromo-2-fluorophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol
CID 115820659
(2,5-dibromophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol
CID 81104668
1-(6-fluoro-1-benzothiophen-2-yl)octan-1-ol
CID 115783093
1-(6-fluoro-1-benzothiophen-2-yl)propan-1-amine
CID 114979546
2-(6-fluoro-1-benzothiophen-2-yl)propan-1-ol
CID 117122437
(2-ethoxyphenyl)-(5-fluoro-2-pyridinyl)methanol
CID 79721579
1-(6-fluoro-1-benzothiophen-2-yl)-2-methylbutan-1-amine
CID 105017408
(2-chlorophenyl)-(2-ethoxyphenyl)methanol
CID 62802056
(4-bromo-2,6-difluorophenyl)-(2-ethoxyphenyl)methanol
CID 115795618

Frequently Asked Questions

What is the IUPAC name of (2-ethoxyphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol?
The IUPAC name of (2-ethoxyphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol (CID 115795636) is (2-ethoxyphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol.
What is the SMILES notation for (2-ethoxyphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol?
The canonical SMILES for (2-ethoxyphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol is CCOc1ccccc1C(O)c1cc2ccc(F)cc2s1.
What is the InChIKey of (2-ethoxyphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol?
The InChIKey is ZTVYXULVUKNSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FO2S/c1-2-20-14-6-4-3-5-13(14)17(19)16-9-11-7-8-12(18)10-15(11)21-16/h3-10,17,19H,2H2,1H3.
What are the key properties of (2-ethoxyphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol?
(2-ethoxyphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol has a molecular weight of 302.37 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxyphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol is sourced from PubChem (CID 115795636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).