[2-(1-benzothiophen-2-yl)-5-methylphenyl]methanol

C16H14OS — CID 172649831

IUPAC[2-(1-benzothiophen-2-yl)-5-methylphenyl]methanol
SMILESCc1ccc(-c2cc3ccccc3s2)c(CO)c1
InChIInChI=1S/C16H14OS/c1-11-6-7-14(13(8-11)10-17)16-9-12-4-2-3-5-15(12)18-16/h2-9,17H,10H2,1H3
InChIKeyQAQMIOJWUNUZHB-UHFFFAOYSA-N
MW254.35 g/mol
LogP4.37
Rot. Bonds2

About [2-(1-benzothiophen-2-yl)-5-methylphenyl]methanol

[2-(1-benzothiophen-2-yl)-5-methylphenyl]methanol (PubChem CID 172649831) has the molecular formula C16H14OS and a molecular weight of 254.35 g/mol. Its IUPAC name is [2-(1-benzothiophen-2-yl)-5-methylphenyl]methanol.

Molecular Properties

Compound Name[2-(1-benzothiophen-2-yl)-5-methylphenyl]methanol
PubChem CID172649831
Molecular FormulaC16H14OS
Molecular Weight254.35 g/mol
Exact Mass254.08
IUPAC Name[2-(1-benzothiophen-2-yl)-5-methylphenyl]methanol
SMILESCc1ccc(-c2cc3ccccc3s2)c(CO)c1
InChIInChI=1S/C16H14OS/c1-11-6-7-14(13(8-11)10-17)16-9-12-4-2-3-5-15(12)18-16/h2-9,17H,10H2,1H3
InChIKeyQAQMIOJWUNUZHB-UHFFFAOYSA-N
XLogP4.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(1-benzothiophen-2-yl)-5-methylphenyl]methanol?
The IUPAC name of [2-(1-benzothiophen-2-yl)-5-methylphenyl]methanol (CID 172649831) is [2-(1-benzothiophen-2-yl)-5-methylphenyl]methanol.
What is the SMILES notation for [2-(1-benzothiophen-2-yl)-5-methylphenyl]methanol?
The canonical SMILES for [2-(1-benzothiophen-2-yl)-5-methylphenyl]methanol is Cc1ccc(-c2cc3ccccc3s2)c(CO)c1.
What is the InChIKey of [2-(1-benzothiophen-2-yl)-5-methylphenyl]methanol?
The InChIKey is QAQMIOJWUNUZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14OS/c1-11-6-7-14(13(8-11)10-17)16-9-12-4-2-3-5-15(12)18-16/h2-9,17H,10H2,1H3.
What are the key properties of [2-(1-benzothiophen-2-yl)-5-methylphenyl]methanol?
[2-(1-benzothiophen-2-yl)-5-methylphenyl]methanol has a molecular weight of 254.35 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-benzothiophen-2-yl)-5-methylphenyl]methanol is sourced from PubChem (CID 172649831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).