2-(4-propan-2-ylphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol

C19H24OS — CID 115788325

IUPAC2-(4-propan-2-ylphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol
SMILESCC(C)c1ccc(CC(O)c2cc3c(s2)CCCC3)cc1
InChIInChI=1S/C19H24OS/c1-13(2)15-9-7-14(8-10-15)11-17(20)19-12-16-5-3-4-6-18(16)21-19/h7-10,12-13,17,20H,3-6,11H2,1-2H3
InChIKeyDQSYZLUVPCOFKO-UHFFFAOYSA-N
MW300.47 g/mol
LogP5.03
Rot. Bonds4

About 2-(4-propan-2-ylphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol

2-(4-propan-2-ylphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol (PubChem CID 115788325) has the molecular formula C19H24OS and a molecular weight of 300.47 g/mol. Its IUPAC name is 2-(4-propan-2-ylphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-(4-propan-2-ylphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol
PubChem CID115788325
Molecular FormulaC19H24OS
Molecular Weight300.47 g/mol
Exact Mass300.15
IUPAC Name2-(4-propan-2-ylphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol
SMILESCC(C)c1ccc(CC(O)c2cc3c(s2)CCCC3)cc1
InChIInChI=1S/C19H24OS/c1-13(2)15-9-7-14(8-10-15)11-17(20)19-12-16-5-3-4-6-18(16)21-19/h7-10,12-13,17,20H,3-6,11H2,1-2H3
InChIKeyDQSYZLUVPCOFKO-UHFFFAOYSA-N
XLogP5.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.47
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-propan-2-ylphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol with MolForge

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Related Compounds

2-(4-bromophenyl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanol
CID 63518430
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-fluorophenyl)ethanol
CID 55150651
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-propan-2-ylphenyl)methanol
CID 61083152
2-(4-methoxyphenyl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanol
CID 63016751
2-(3,5-dimethylphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol
CID 114980354
2-(4-nitrophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol
CID 63016009
(4-ethylphenyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol
CID 63426749
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-thiophen-3-ylethanol
CID 63016158
2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene
CID 20542326
2-(3-bromo-4-fluorophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol
CID 115779669
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(3-methoxyphenyl)ethanol
CID 63016022
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-pyridin-3-ylethanol
CID 115832035

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol?
The IUPAC name of 2-(4-propan-2-ylphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol (CID 115788325) is 2-(4-propan-2-ylphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol.
What is the SMILES notation for 2-(4-propan-2-ylphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol?
The canonical SMILES for 2-(4-propan-2-ylphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol is CC(C)c1ccc(CC(O)c2cc3c(s2)CCCC3)cc1.
What is the InChIKey of 2-(4-propan-2-ylphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol?
The InChIKey is DQSYZLUVPCOFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24OS/c1-13(2)15-9-7-14(8-10-15)11-17(20)19-12-16-5-3-4-6-18(16)21-19/h7-10,12-13,17,20H,3-6,11H2,1-2H3.
What are the key properties of 2-(4-propan-2-ylphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol?
2-(4-propan-2-ylphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol has a molecular weight of 300.47 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol is sourced from PubChem (CID 115788325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).