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

C16H14Cl2OS — CID 105086826

IUPAC2-(2,4-dichlorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanol
SMILESOC(Cc1ccc(Cl)cc1Cl)C1CSc2ccccc21
InChIInChI=1S/C16H14Cl2OS/c17-11-6-5-10(14(18)8-11)7-15(19)13-9-20-16-4-2-1-3-12(13)16/h1-6,8,13,15,19H,7,9H2
InChIKeyFCPVSMFBGFKKIF-UHFFFAOYSA-N
MW325.26 g/mol
LogP4.79
Rot. Bonds3

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

2-(2,4-dichlorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanol (PubChem CID 105086826) has the molecular formula C16H14Cl2OS and a molecular weight of 325.26 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanol.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanol
PubChem CID105086826
Molecular FormulaC16H14Cl2OS
Molecular Weight325.26 g/mol
Exact Mass324.01
IUPAC Name2-(2,4-dichlorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanol
SMILESOC(Cc1ccc(Cl)cc1Cl)C1CSc2ccccc21
InChIInChI=1S/C16H14Cl2OS/c17-11-6-5-10(14(18)8-11)7-15(19)13-9-20-16-4-2-1-3-12(13)16/h1-6,8,13,15,19H,7,9H2
InChIKeyFCPVSMFBGFKKIF-UHFFFAOYSA-N
XLogP4.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.26
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanol
CID 103053466
1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 105083639
2-(4-bromophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanol
CID 105077495
2-(2,4-dichlorophenyl)-1-(3,4-dihydro-1H-isochromen-1-yl)ethanol
CID 105086757
[2-(2-chlorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethyl]hydrazine
CID 105286555
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanol
CID 105107477
2-(2,4-dichlorophenyl)-1-(2-methylcyclopentyl)ethanol
CID 107192122
2-(3-chlorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)-N-ethylethanamine
CID 105085901
(2-chloro-5-fluorophenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanol
CID 105397717
1,3-bis(2,4-dichlorophenyl)propan-2-ol
CID 63410533
(3,4-difluorophenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanol
CID 105096407
1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(2,4-dichlorophenyl)ethanol
CID 79968525

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanol?
The IUPAC name of 2-(2,4-dichlorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanol (CID 105086826) is 2-(2,4-dichlorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanol.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanol?
The canonical SMILES for 2-(2,4-dichlorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanol is OC(Cc1ccc(Cl)cc1Cl)C1CSc2ccccc21.
What is the InChIKey of 2-(2,4-dichlorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanol?
The InChIKey is FCPVSMFBGFKKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2OS/c17-11-6-5-10(14(18)8-11)7-15(19)13-9-20-16-4-2-1-3-12(13)16/h1-6,8,13,15,19H,7,9H2.
What are the key properties of 2-(2,4-dichlorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanol?
2-(2,4-dichlorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanol has a molecular weight of 325.26 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanol is sourced from PubChem (CID 105086826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).