2-(2,4-dichlorophenyl)-1-(3-ethyl-1,4-dithian-2-yl)ethanol

C14H18Cl2OS2 — CID 115386317

IUPAC2-(2,4-dichlorophenyl)-1-(3-ethyl-1,4-dithian-2-yl)ethanol
SMILESCCC1SCCSC1C(O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H18Cl2OS2/c1-2-13-14(19-6-5-18-13)12(17)7-9-3-4-10(15)8-11(9)16/h3-4,8,12-14,17H,2,5-7H2,1H3
InChIKeyONPUZTSDOUQPSC-UHFFFAOYSA-N
MW337.34 g/mol
LogP4.52
Rot. Bonds4

About 2-(2,4-dichlorophenyl)-1-(3-ethyl-1,4-dithian-2-yl)ethanol

2-(2,4-dichlorophenyl)-1-(3-ethyl-1,4-dithian-2-yl)ethanol (PubChem CID 115386317) has the molecular formula C14H18Cl2OS2 and a molecular weight of 337.34 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-1-(3-ethyl-1,4-dithian-2-yl)ethanol.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-1-(3-ethyl-1,4-dithian-2-yl)ethanol
PubChem CID115386317
Molecular FormulaC14H18Cl2OS2
Molecular Weight337.34 g/mol
Exact Mass336.02
IUPAC Name2-(2,4-dichlorophenyl)-1-(3-ethyl-1,4-dithian-2-yl)ethanol
SMILESCCC1SCCSC1C(O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H18Cl2OS2/c1-2-13-14(19-6-5-18-13)12(17)7-9-3-4-10(15)8-11(9)16/h3-4,8,12-14,17H,2,5-7H2,1H3
InChIKeyONPUZTSDOUQPSC-UHFFFAOYSA-N
XLogP4.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethyl-1,4-dithian-2-yl)-2-(5-ethylthiophen-2-yl)ethanol
CID 115386540
2-(2-chloro-4-methylphenyl)-1-(3-ethyl-1,4-dithian-2-yl)-N-methylethanamine
CID 106868659
2-(3,5-dimethylphenyl)-1-(3-ethyl-1,4-dithian-2-yl)ethanol
CID 115386430
2-(2,4-dichlorophenyl)-1-(2-methylcyclopentyl)ethanol
CID 107192122
[2-(5-chloro-2-fluorophenyl)-1-(3-ethyl-1,4-dithian-2-yl)ethyl]hydrazine
CID 103053681
1-(2,4-dichlorophenyl)pentan-2-ol
CID 60798287
(4-chloro-2-fluorophenyl)-(3-ethyl-1,4-dithian-2-yl)methanamine
CID 115387570
1,3-bis(2,4-dichlorophenyl)propan-2-ol
CID 63410533
1-(3-ethyl-1,4-dithian-2-yl)-2-(1-methylpyrazol-3-yl)ethanol
CID 82877907
1-(2,4-dichlorophenyl)butan-2-ol;methanol
CID 144705825
1-(3-ethyl-1,4-dithian-2-yl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 115386529
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-(3-ethyl-1,4-dithian-2-yl)ethanol?
The IUPAC name of 2-(2,4-dichlorophenyl)-1-(3-ethyl-1,4-dithian-2-yl)ethanol (CID 115386317) is 2-(2,4-dichlorophenyl)-1-(3-ethyl-1,4-dithian-2-yl)ethanol.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-1-(3-ethyl-1,4-dithian-2-yl)ethanol?
The canonical SMILES for 2-(2,4-dichlorophenyl)-1-(3-ethyl-1,4-dithian-2-yl)ethanol is CCC1SCCSC1C(O)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-1-(3-ethyl-1,4-dithian-2-yl)ethanol?
The InChIKey is ONPUZTSDOUQPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2OS2/c1-2-13-14(19-6-5-18-13)12(17)7-9-3-4-10(15)8-11(9)16/h3-4,8,12-14,17H,2,5-7H2,1H3.
What are the key properties of 2-(2,4-dichlorophenyl)-1-(3-ethyl-1,4-dithian-2-yl)ethanol?
2-(2,4-dichlorophenyl)-1-(3-ethyl-1,4-dithian-2-yl)ethanol has a molecular weight of 337.34 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-1-(3-ethyl-1,4-dithian-2-yl)ethanol is sourced from PubChem (CID 115386317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).