[3-(2,6-dimethylphenyl)-1-benzothiophen-5-yl]methanol

C17H16OS — CID 121268320

IUPAC[3-(2,6-dimethylphenyl)-1-benzothiophen-5-yl]methanol
SMILESCc1cccc(C)c1-c1csc2ccc(CO)cc12
InChIInChI=1S/C17H16OS/c1-11-4-3-5-12(2)17(11)15-10-19-16-7-6-13(9-18)8-14(15)16/h3-8,10,18H,9H2,1-2H3
InChIKeyLSDKHJDTEXYDKU-UHFFFAOYSA-N
MW268.38 g/mol
LogP4.68
Rot. Bonds2

About [3-(2,6-dimethylphenyl)-1-benzothiophen-5-yl]methanol

[3-(2,6-dimethylphenyl)-1-benzothiophen-5-yl]methanol (PubChem CID 121268320) has the molecular formula C17H16OS and a molecular weight of 268.38 g/mol. Its IUPAC name is [3-(2,6-dimethylphenyl)-1-benzothiophen-5-yl]methanol.

Molecular Properties

Compound Name[3-(2,6-dimethylphenyl)-1-benzothiophen-5-yl]methanol
PubChem CID121268320
Molecular FormulaC17H16OS
Molecular Weight268.38 g/mol
Exact Mass268.09
IUPAC Name[3-(2,6-dimethylphenyl)-1-benzothiophen-5-yl]methanol
SMILESCc1cccc(C)c1-c1csc2ccc(CO)cc12
InChIInChI=1S/C17H16OS/c1-11-4-3-5-12(2)17(11)15-10-19-16-7-6-13(9-18)8-14(15)16/h3-8,10,18H,9H2,1-2H3
InChIKeyLSDKHJDTEXYDKU-UHFFFAOYSA-N
XLogP4.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(2,6-dimethylphenyl)-1-benzothiophen-5-yl]methanol?
The IUPAC name of [3-(2,6-dimethylphenyl)-1-benzothiophen-5-yl]methanol (CID 121268320) is [3-(2,6-dimethylphenyl)-1-benzothiophen-5-yl]methanol.
What is the SMILES notation for [3-(2,6-dimethylphenyl)-1-benzothiophen-5-yl]methanol?
The canonical SMILES for [3-(2,6-dimethylphenyl)-1-benzothiophen-5-yl]methanol is Cc1cccc(C)c1-c1csc2ccc(CO)cc12.
What is the InChIKey of [3-(2,6-dimethylphenyl)-1-benzothiophen-5-yl]methanol?
The InChIKey is LSDKHJDTEXYDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16OS/c1-11-4-3-5-12(2)17(11)15-10-19-16-7-6-13(9-18)8-14(15)16/h3-8,10,18H,9H2,1-2H3.
What are the key properties of [3-(2,6-dimethylphenyl)-1-benzothiophen-5-yl]methanol?
[3-(2,6-dimethylphenyl)-1-benzothiophen-5-yl]methanol has a molecular weight of 268.38 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,6-dimethylphenyl)-1-benzothiophen-5-yl]methanol is sourced from PubChem (CID 121268320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).