1-(1-benzothiophen-2-yl)-1-(3-methylphenyl)ethanol

C17H16OS — CID 114910952

IUPAC1-(1-benzothiophen-2-yl)-1-(3-methylphenyl)ethanol
SMILESCc1cccc(C(C)(O)c2cc3ccccc3s2)c1
InChIInChI=1S/C17H16OS/c1-12-6-5-8-14(10-12)17(2,18)16-11-13-7-3-4-9-15(13)19-16/h3-11,18H,1-2H3
InChIKeyLSQJGCGRDPSWLA-UHFFFAOYSA-N
MW268.38 g/mol
LogP4.47
Rot. Bonds2

About 1-(1-benzothiophen-2-yl)-1-(3-methylphenyl)ethanol

1-(1-benzothiophen-2-yl)-1-(3-methylphenyl)ethanol (PubChem CID 114910952) has the molecular formula C17H16OS and a molecular weight of 268.38 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-1-(3-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-1-(3-methylphenyl)ethanol
PubChem CID114910952
Molecular FormulaC17H16OS
Molecular Weight268.38 g/mol
Exact Mass268.09
IUPAC Name1-(1-benzothiophen-2-yl)-1-(3-methylphenyl)ethanol
SMILESCc1cccc(C(C)(O)c2cc3ccccc3s2)c1
InChIInChI=1S/C17H16OS/c1-12-6-5-8-14(10-12)17(2,18)16-11-13-7-3-4-9-15(13)19-16/h3-11,18H,1-2H3
InChIKeyLSQJGCGRDPSWLA-UHFFFAOYSA-N
XLogP4.47
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 ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzothiophen-2-yl)-1-(4-fluoro-3-methylphenyl)ethanol
CID 114910959
1-(1-benzothiophen-2-yl)-1-(4-chlorophenyl)ethanol
CID 114910893
1-(1-benzothiophen-2-yl)-1-(2-methylphenyl)ethanol
CID 114910776
1-(1-benzothiophen-2-yl)-1-(1H-indol-5-yl)ethanol
CID 114910892
1-(1-benzothiophen-2-yl)-1-bromoethanol
CID 150482026
1-(1-benzothiophen-2-yl)-1-cyclobutylethanol
CID 114910840
1-(1-benzothiophen-2-yl)-1-cyclopentylethanol
CID 114910842
bis(1-benzothiophen-2-yl)-[4-[bis(1-benzothiophen-2-yl)-hydroxymethyl]phenyl]methanol
CID 122216387
1,1-bis(3-methylphenyl)-2,2-diphenylethane-1,2-diol
CID 18615291
2-(1-benzothiophen-2-yl)but-3-yn-2-ol
CID 114910879
(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropanoic acid
CID 901528
1-(1-benzothiophen-2-yl)-1-(2-ethylpyrazol-3-yl)ethanol
CID 114910961

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-1-(3-methylphenyl)ethanol?
The IUPAC name of 1-(1-benzothiophen-2-yl)-1-(3-methylphenyl)ethanol (CID 114910952) is 1-(1-benzothiophen-2-yl)-1-(3-methylphenyl)ethanol.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-1-(3-methylphenyl)ethanol?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-1-(3-methylphenyl)ethanol is Cc1cccc(C(C)(O)c2cc3ccccc3s2)c1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-1-(3-methylphenyl)ethanol?
The InChIKey is LSQJGCGRDPSWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16OS/c1-12-6-5-8-14(10-12)17(2,18)16-11-13-7-3-4-9-15(13)19-16/h3-11,18H,1-2H3.
What are the key properties of 1-(1-benzothiophen-2-yl)-1-(3-methylphenyl)ethanol?
1-(1-benzothiophen-2-yl)-1-(3-methylphenyl)ethanol has a molecular weight of 268.38 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-2-yl)-1-(3-methylphenyl)ethanol is sourced from PubChem (CID 114910952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).