1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(4-propan-2-ylphenyl)ethanol

C19H22OS — CID 105089082

IUPAC1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(4-propan-2-ylphenyl)ethanol
SMILESCC(C)c1ccc(CC(O)C2Cc3ccccc3S2)cc1
InChIInChI=1S/C19H22OS/c1-13(2)15-9-7-14(8-10-15)11-17(20)19-12-16-5-3-4-6-18(16)21-19/h3-10,13,17,19-20H,11-12H2,1-2H3
InChIKeyOCZGNVKTIMEELD-UHFFFAOYSA-N
MW298.45 g/mol
LogP4.43
Rot. Bonds4

About 1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(4-propan-2-ylphenyl)ethanol

1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(4-propan-2-ylphenyl)ethanol (PubChem CID 105089082) has the molecular formula C19H22OS and a molecular weight of 298.45 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(4-propan-2-ylphenyl)ethanol.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(4-propan-2-ylphenyl)ethanol
PubChem CID105089082
Molecular FormulaC19H22OS
Molecular Weight298.45 g/mol
Exact Mass298.14
IUPAC Name1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(4-propan-2-ylphenyl)ethanol
SMILESCC(C)c1ccc(CC(O)C2Cc3ccccc3S2)cc1
InChIInChI=1S/C19H22OS/c1-13(2)15-9-7-14(8-10-15)11-17(20)19-12-16-5-3-4-6-18(16)21-19/h3-10,13,17,19-20H,11-12H2,1-2H3
InChIKeyOCZGNVKTIMEELD-UHFFFAOYSA-N
XLogP4.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(2,4,6-trimethylphenyl)ethanol
CID 105084269
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-pyridin-2-ylethanol
CID 105106044
1-(2,3-dihydro-1-benzothiophen-2-yl)undecan-1-ol
CID 105089949
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol
CID 105108217
1-(2,3-dihydro-1-benzothiophen-2-yl)pent-4-yn-1-ol
CID 105098639
2-(4-propan-2-ylphenyl)-1-(thian-2-yl)ethanol
CID 80621626
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(4-ethylphenyl)-N-methylethanamine
CID 105101921
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanol
CID 105107239
2,3-dihydro-1-benzothiophen-2-yl-(4-propoxyphenyl)methanol
CID 105095159
1-cyclohexyl-2-(4-propan-2-ylphenyl)ethanol
CID 63410841
1-(2,3-dihydro-1-benzothiophen-2-yl)-2,4-dimethylpentan-1-amine
CID 114285063
N-[(4-chlorophenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methyl]propan-1-amine
CID 105076227

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(4-propan-2-ylphenyl)ethanol?
The IUPAC name of 1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(4-propan-2-ylphenyl)ethanol (CID 105089082) is 1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(4-propan-2-ylphenyl)ethanol.
What is the SMILES notation for 1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(4-propan-2-ylphenyl)ethanol?
The canonical SMILES for 1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(4-propan-2-ylphenyl)ethanol is CC(C)c1ccc(CC(O)C2Cc3ccccc3S2)cc1.
What is the InChIKey of 1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(4-propan-2-ylphenyl)ethanol?
The InChIKey is OCZGNVKTIMEELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22OS/c1-13(2)15-9-7-14(8-10-15)11-17(20)19-12-16-5-3-4-6-18(16)21-19/h3-10,13,17,19-20H,11-12H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(4-propan-2-ylphenyl)ethanol?
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(4-propan-2-ylphenyl)ethanol has a molecular weight of 298.45 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(4-propan-2-ylphenyl)ethanol is sourced from PubChem (CID 105089082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).