[2-fluoro-3-[4-(2-methoxyethoxy)-2-methylphenyl]-1-benzothiophen-5-yl]methanol

C19H19FO3S — CID 131986263

IUPAC[2-fluoro-3-[4-(2-methoxyethoxy)-2-methylphenyl]-1-benzothiophen-5-yl]methanol
SMILESCOCCOc1ccc(-c2c(F)sc3ccc(CO)cc23)c(C)c1
InChIInChI=1S/C19H19FO3S/c1-12-9-14(23-8-7-22-2)4-5-15(12)18-16-10-13(11-21)3-6-17(16)24-19(18)20/h3-6,9-10,21H,7-8,11H2,1-2H3
InChIKeyPMAUDGHQAIUBTJ-UHFFFAOYSA-N
MW346.42 g/mol
LogP4.53
Rot. Bonds6

About [2-fluoro-3-[4-(2-methoxyethoxy)-2-methylphenyl]-1-benzothiophen-5-yl]methanol

[2-fluoro-3-[4-(2-methoxyethoxy)-2-methylphenyl]-1-benzothiophen-5-yl]methanol (PubChem CID 131986263) has the molecular formula C19H19FO3S and a molecular weight of 346.42 g/mol. Its IUPAC name is [2-fluoro-3-[4-(2-methoxyethoxy)-2-methylphenyl]-1-benzothiophen-5-yl]methanol.

Molecular Properties

Compound Name[2-fluoro-3-[4-(2-methoxyethoxy)-2-methylphenyl]-1-benzothiophen-5-yl]methanol
PubChem CID131986263
Molecular FormulaC19H19FO3S
Molecular Weight346.42 g/mol
Exact Mass346.10
IUPAC Name[2-fluoro-3-[4-(2-methoxyethoxy)-2-methylphenyl]-1-benzothiophen-5-yl]methanol
SMILESCOCCOc1ccc(-c2c(F)sc3ccc(CO)cc23)c(C)c1
InChIInChI=1S/C19H19FO3S/c1-12-9-14(23-8-7-22-2)4-5-15(12)18-16-10-13(11-21)3-6-17(16)24-19(18)20/h3-6,9-10,21H,7-8,11H2,1-2H3
InChIKeyPMAUDGHQAIUBTJ-UHFFFAOYSA-N
XLogP4.53
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-fluoro-3-[4-(2-methoxyethoxy)-2-methylphenyl]-1-benzothiophen-5-yl]methanol?
The IUPAC name of [2-fluoro-3-[4-(2-methoxyethoxy)-2-methylphenyl]-1-benzothiophen-5-yl]methanol (CID 131986263) is [2-fluoro-3-[4-(2-methoxyethoxy)-2-methylphenyl]-1-benzothiophen-5-yl]methanol.
What is the SMILES notation for [2-fluoro-3-[4-(2-methoxyethoxy)-2-methylphenyl]-1-benzothiophen-5-yl]methanol?
The canonical SMILES for [2-fluoro-3-[4-(2-methoxyethoxy)-2-methylphenyl]-1-benzothiophen-5-yl]methanol is COCCOc1ccc(-c2c(F)sc3ccc(CO)cc23)c(C)c1.
What is the InChIKey of [2-fluoro-3-[4-(2-methoxyethoxy)-2-methylphenyl]-1-benzothiophen-5-yl]methanol?
The InChIKey is PMAUDGHQAIUBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FO3S/c1-12-9-14(23-8-7-22-2)4-5-15(12)18-16-10-13(11-21)3-6-17(16)24-19(18)20/h3-6,9-10,21H,7-8,11H2,1-2H3.
What are the key properties of [2-fluoro-3-[4-(2-methoxyethoxy)-2-methylphenyl]-1-benzothiophen-5-yl]methanol?
[2-fluoro-3-[4-(2-methoxyethoxy)-2-methylphenyl]-1-benzothiophen-5-yl]methanol has a molecular weight of 346.42 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-3-[4-(2-methoxyethoxy)-2-methylphenyl]-1-benzothiophen-5-yl]methanol is sourced from PubChem (CID 131986263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).