1-(2,5-dichlorothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanol

C14H14Cl2OS — CID 63427104

IUPAC1-(2,5-dichlorothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanol
SMILESCc1ccc(C)c(CC(O)c2cc(Cl)sc2Cl)c1
InChIInChI=1S/C14H14Cl2OS/c1-8-3-4-9(2)10(5-8)6-12(17)11-7-13(15)18-14(11)16/h3-5,7,12,17H,6H2,1-2H3
InChIKeyCGGYEVOSUPKMBY-UHFFFAOYSA-N
MW301.24 g/mol
LogP4.95
Rot. Bonds3

About 1-(2,5-dichlorothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanol

1-(2,5-dichlorothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanol (PubChem CID 63427104) has the molecular formula C14H14Cl2OS and a molecular weight of 301.24 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanol.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanol
PubChem CID63427104
Molecular FormulaC14H14Cl2OS
Molecular Weight301.24 g/mol
Exact Mass300.01
IUPAC Name1-(2,5-dichlorothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanol
SMILESCc1ccc(C)c(CC(O)c2cc(Cl)sc2Cl)c1
InChIInChI=1S/C14H14Cl2OS/c1-8-3-4-9(2)10(5-8)6-12(17)11-7-13(15)18-14(11)16/h3-5,7,12,17H,6H2,1-2H3
InChIKeyCGGYEVOSUPKMBY-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

1-(2,5-dichlorothiophen-3-yl)-2-(2,5-dimethylphenyl)-N-ethylethanamine
CID 63509708
1-(2-amino-4-chlorophenyl)-2-(2,5-dimethylphenyl)ethanol
CID 64916180
1-(5-chloro-2-fluorophenyl)-2-(2,5-dimethylphenyl)ethanol
CID 55149164
1-(2,5-dichlorothiophen-3-yl)-2-naphthalen-1-ylethanol
CID 107965715
2-(2,5-dimethylphenyl)-1-(4-methylphenyl)ethanol
CID 61481687
1-(4-bromothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanol
CID 115820172
(2,5-dichlorothiophen-3-yl)-(2,5-dimethylphenyl)methanamine
CID 43344864
(2-chloro-4-methylphenyl)-(2,5-dichlorothiophen-3-yl)methanol
CID 106862706
2-(2,5-dimethylphenyl)-1-naphthalen-1-ylethanol
CID 63411264
1-(2,5-dichlorothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanone
CID 63492510
1-(2,5-dichlorothiophen-3-yl)-2-(4-methoxyphenyl)ethanol
CID 61081417
2-(5-bromo-2-methoxyphenyl)-1-(2,5-dichlorothiophen-3-yl)ethanol
CID 107969583

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanol?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanol (CID 63427104) is 1-(2,5-dichlorothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanol.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanol?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanol is Cc1ccc(C)c(CC(O)c2cc(Cl)sc2Cl)c1.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanol?
The InChIKey is CGGYEVOSUPKMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2OS/c1-8-3-4-9(2)10(5-8)6-12(17)11-7-13(15)18-14(11)16/h3-5,7,12,17H,6H2,1-2H3.
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanol?
1-(2,5-dichlorothiophen-3-yl)-2-(2,5-dimethylphenyl)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 1-(2,5-dichlorothiophen-3-yl)-2-(2,5-dimethylphenyl)ethanol is sourced from PubChem (CID 63427104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).