2-(1-benzothiophen-3-yl)-1-(4-methylphenyl)ethanol

C17H16OS — CID 63736721

IUPAC2-(1-benzothiophen-3-yl)-1-(4-methylphenyl)ethanol
SMILESCc1ccc(C(O)Cc2csc3ccccc23)cc1
InChIInChI=1S/C17H16OS/c1-12-6-8-13(9-7-12)16(18)10-14-11-19-17-5-3-2-4-15(14)17/h2-9,11,16,18H,10H2,1H3
InChIKeyZRJYFBBPNPSRBV-UHFFFAOYSA-N
MW268.38 g/mol
LogP4.49
Rot. Bonds3

About 2-(1-benzothiophen-3-yl)-1-(4-methylphenyl)ethanol

2-(1-benzothiophen-3-yl)-1-(4-methylphenyl)ethanol (PubChem CID 63736721) has the molecular formula C17H16OS and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-1-(4-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-1-(4-methylphenyl)ethanol
PubChem CID63736721
Molecular FormulaC17H16OS
Molecular Weight268.38 g/mol
Exact Mass268.09
IUPAC Name2-(1-benzothiophen-3-yl)-1-(4-methylphenyl)ethanol
SMILESCc1ccc(C(O)Cc2csc3ccccc23)cc1
InChIInChI=1S/C17H16OS/c1-12-6-8-13(9-7-12)16(18)10-14-11-19-17-5-3-2-4-15(14)17/h2-9,11,16,18H,10H2,1H3
InChIKeyZRJYFBBPNPSRBV-UHFFFAOYSA-N
XLogP4.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-benzothiophen-3-yl)-1-(5-methylfuran-3-yl)ethanol
CID 115781069
3-[3-chloro-2-(4-methylphenyl)propyl]-1-benzothiophene
CID 79437262
1-(1-benzothiophen-3-yl)propan-2-ol
CID 63738111
2-(1-benzothiophen-3-yl)-1-(5-methylfuran-2-yl)ethanol
CID 65150670
2-(1-benzothiophen-3-yl)-1-(2-ethylphenyl)ethanol
CID 65150146
1-benzothiophen-3-yl-(4-methylphenyl)methanol
CID 61088943
2-(1-benzothiophen-3-yl)-1-(2-bromophenyl)ethanol
CID 63736722
2-(1-benzothiophen-3-yl)-1-(1-propylpyrazol-4-yl)ethanol
CID 103572658
1-(1-benzothiophen-3-yl)-3-methoxypropan-2-ol
CID 63739171
2-(1-benzothiophen-3-yl)-1-(5-chlorothiophen-2-yl)ethanol
CID 65150174
1-[4-(1-benzothiophen-3-ylmethoxy)phenyl]propan-1-ol
CID 63738620
3-(1-benzothiophen-3-yl)-1-methoxy-1-phenylpropan-2-ol
CID 116756762

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-1-(4-methylphenyl)ethanol?
The IUPAC name of 2-(1-benzothiophen-3-yl)-1-(4-methylphenyl)ethanol (CID 63736721) is 2-(1-benzothiophen-3-yl)-1-(4-methylphenyl)ethanol.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-1-(4-methylphenyl)ethanol?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-1-(4-methylphenyl)ethanol is Cc1ccc(C(O)Cc2csc3ccccc23)cc1.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-1-(4-methylphenyl)ethanol?
The InChIKey is ZRJYFBBPNPSRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16OS/c1-12-6-8-13(9-7-12)16(18)10-14-11-19-17-5-3-2-4-15(14)17/h2-9,11,16,18H,10H2,1H3.
What are the key properties of 2-(1-benzothiophen-3-yl)-1-(4-methylphenyl)ethanol?
2-(1-benzothiophen-3-yl)-1-(4-methylphenyl)ethanol has a molecular weight of 268.38 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-yl)-1-(4-methylphenyl)ethanol is sourced from PubChem (CID 63736721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).