2-(2,4-dichlorophenyl)-1-(4,5-dimethylthiophen-2-yl)ethanol

C14H14Cl2OS — CID 115785074

IUPAC2-(2,4-dichlorophenyl)-1-(4,5-dimethylthiophen-2-yl)ethanol
SMILESCc1cc(C(O)Cc2ccc(Cl)cc2Cl)sc1C
InChIInChI=1S/C14H14Cl2OS/c1-8-5-14(18-9(8)2)13(17)6-10-3-4-11(15)7-12(10)16/h3-5,7,13,17H,6H2,1-2H3
InChIKeyFNZPYZSRUMCZER-UHFFFAOYSA-N
MW301.24 g/mol
LogP4.95
Rot. Bonds3

About 2-(2,4-dichlorophenyl)-1-(4,5-dimethylthiophen-2-yl)ethanol

2-(2,4-dichlorophenyl)-1-(4,5-dimethylthiophen-2-yl)ethanol (PubChem CID 115785074) has the molecular formula C14H14Cl2OS and a molecular weight of 301.24 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-1-(4,5-dimethylthiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-1-(4,5-dimethylthiophen-2-yl)ethanol
PubChem CID115785074
Molecular FormulaC14H14Cl2OS
Molecular Weight301.24 g/mol
Exact Mass300.01
IUPAC Name2-(2,4-dichlorophenyl)-1-(4,5-dimethylthiophen-2-yl)ethanol
SMILESCc1cc(C(O)Cc2ccc(Cl)cc2Cl)sc1C
InChIInChI=1S/C14H14Cl2OS/c1-8-5-14(18-9(8)2)13(17)6-10-3-4-11(15)7-12(10)16/h3-5,7,13,17H,6H2,1-2H3
InChIKeyFNZPYZSRUMCZER-UHFFFAOYSA-N
XLogP4.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.24
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dichlorophenyl)-1-(6-fluoro-1-benzothiophen-2-yl)ethanol
CID 115785055
1,3-bis(2,4-dichlorophenyl)propan-2-ol
CID 63410533
2-(2,4-dichlorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 62607142
1-(5-chloro-4-methylthiophen-2-yl)-2-(4-chlorophenyl)ethanol
CID 102764589
2-(2-chloro-4-methylphenyl)-1-(5-chloro-2-methylphenyl)ethanol
CID 106868133
2-(2,4-dichlorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol
CID 106782715
2-(2-chloro-4-methylphenyl)-1-(4,5-dimethylthiophen-2-yl)-N-methylethanamine
CID 106865957
1-(2-chloro-4-methylphenyl)-3-(2,4-dichlorophenyl)propan-2-ol
CID 106867255
2-(2,4-dichlorophenyl)-1-(1-methylpyrrol-3-yl)ethanol
CID 10612074
2-(2,4-dichlorophenyl)-1-(3-fluoro-5-methylphenyl)ethanol
CID 79704311
5-[1-chloro-2-(2-chlorophenyl)ethyl]-2,3-dimethylthiophene
CID 65238571
1-(4,5-dimethylthiophen-2-yl)-2-(4-methoxyphenyl)ethanol
CID 65238266

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-1-(4,5-dimethylthiophen-2-yl)ethanol?
The IUPAC name of 2-(2,4-dichlorophenyl)-1-(4,5-dimethylthiophen-2-yl)ethanol (CID 115785074) is 2-(2,4-dichlorophenyl)-1-(4,5-dimethylthiophen-2-yl)ethanol.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-1-(4,5-dimethylthiophen-2-yl)ethanol?
The canonical SMILES for 2-(2,4-dichlorophenyl)-1-(4,5-dimethylthiophen-2-yl)ethanol is Cc1cc(C(O)Cc2ccc(Cl)cc2Cl)sc1C.
What is the InChIKey of 2-(2,4-dichlorophenyl)-1-(4,5-dimethylthiophen-2-yl)ethanol?
The InChIKey is FNZPYZSRUMCZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2OS/c1-8-5-14(18-9(8)2)13(17)6-10-3-4-11(15)7-12(10)16/h3-5,7,13,17H,6H2,1-2H3.
What are the key properties of 2-(2,4-dichlorophenyl)-1-(4,5-dimethylthiophen-2-yl)ethanol?
2-(2,4-dichlorophenyl)-1-(4,5-dimethylthiophen-2-yl)ethanol has a molecular weight of 301.24 g/mol, XLogP of 4.95, 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-(4,5-dimethylthiophen-2-yl)ethanol is sourced from PubChem (CID 115785074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).