1-(1-benzothiophen-2-yl)-2-(4-ethylphenyl)ethanol

C18H18OS — CID 114980831

IUPAC1-(1-benzothiophen-2-yl)-2-(4-ethylphenyl)ethanol
SMILESCCc1ccc(CC(O)c2cc3ccccc3s2)cc1
InChIInChI=1S/C18H18OS/c1-2-13-7-9-14(10-8-13)11-16(19)18-12-15-5-3-4-6-17(15)20-18/h3-10,12,16,19H,2,11H2,1H3
InChIKeyVFLZNZXGLYXVBL-UHFFFAOYSA-N
MW282.41 g/mol
LogP4.74
Rot. Bonds4

About 1-(1-benzothiophen-2-yl)-2-(4-ethylphenyl)ethanol

1-(1-benzothiophen-2-yl)-2-(4-ethylphenyl)ethanol (PubChem CID 114980831) has the molecular formula C18H18OS and a molecular weight of 282.41 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-2-(4-ethylphenyl)ethanol.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-2-(4-ethylphenyl)ethanol
PubChem CID114980831
Molecular FormulaC18H18OS
Molecular Weight282.41 g/mol
Exact Mass282.11
IUPAC Name1-(1-benzothiophen-2-yl)-2-(4-ethylphenyl)ethanol
SMILESCCc1ccc(CC(O)c2cc3ccccc3s2)cc1
InChIInChI=1S/C18H18OS/c1-2-13-7-9-14(10-8-13)11-16(19)18-12-15-5-3-4-6-17(15)20-18/h3-10,12,16,19H,2,11H2,1H3
InChIKeyVFLZNZXGLYXVBL-UHFFFAOYSA-N
XLogP4.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(1-benzothiophen-2-yl)propan-1-ol
CID 171099380
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CID 177491448
1-(1-benzothiophen-2-yl)-2-(2,3-dihydro-1H-inden-5-yl)ethanol
CID 115803448
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CID 114976256
1-(1-benzothiophen-2-yl)nonan-1-ol
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1-(1-benzothiophen-2-yl)-2-bromoethanol
CID 130171136
1-benzothiophen-2-yl-[4-(2-methylpropyl)phenyl]methanol
CID 63427924
1-(1-benzothiophen-2-yl)-2-thiophen-2-ylethanol
CID 63016384
1-(1-benzothiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethanol
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1-(1-benzothiophen-2-yl)-3-(dimethylamino)propan-1-ol
CID 86678604
ethyl (3S)-3-(1-benzothiophen-2-yl)-3-hydroxypropanoate
CID 42631132
(3R)-3-(1-benzothiophen-2-yl)-3-hydroxypropanoic acid
CID 102424617

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-2-(4-ethylphenyl)ethanol?
The IUPAC name of 1-(1-benzothiophen-2-yl)-2-(4-ethylphenyl)ethanol (CID 114980831) is 1-(1-benzothiophen-2-yl)-2-(4-ethylphenyl)ethanol.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-2-(4-ethylphenyl)ethanol?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-2-(4-ethylphenyl)ethanol is CCc1ccc(CC(O)c2cc3ccccc3s2)cc1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-2-(4-ethylphenyl)ethanol?
The InChIKey is VFLZNZXGLYXVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18OS/c1-2-13-7-9-14(10-8-13)11-16(19)18-12-15-5-3-4-6-17(15)20-18/h3-10,12,16,19H,2,11H2,1H3.
What are the key properties of 1-(1-benzothiophen-2-yl)-2-(4-ethylphenyl)ethanol?
1-(1-benzothiophen-2-yl)-2-(4-ethylphenyl)ethanol has a molecular weight of 282.41 g/mol, XLogP of 4.74, 4 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)-2-(4-ethylphenyl)ethanol is sourced from PubChem (CID 114980831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).