1-(2,4-dichlorophenyl)-2-thiophen-2-ylpropan-2-ol

C13H12Cl2OS — CID 65145566

IUPAC1-(2,4-dichlorophenyl)-2-thiophen-2-ylpropan-2-ol
SMILESCC(O)(Cc1ccc(Cl)cc1Cl)c1cccs1
InChIInChI=1S/C13H12Cl2OS/c1-13(16,12-3-2-6-17-12)8-9-4-5-10(14)7-11(9)15/h2-7,16H,8H2,1H3
InChIKeyKCWXORKTAYGCME-UHFFFAOYSA-N
MW287.21 g/mol
LogP4.51
Rot. Bonds3

About 1-(2,4-dichlorophenyl)-2-thiophen-2-ylpropan-2-ol

1-(2,4-dichlorophenyl)-2-thiophen-2-ylpropan-2-ol (PubChem CID 65145566) has the molecular formula C13H12Cl2OS and a molecular weight of 287.21 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-2-thiophen-2-ylpropan-2-ol.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-2-thiophen-2-ylpropan-2-ol
PubChem CID65145566
Molecular FormulaC13H12Cl2OS
Molecular Weight287.21 g/mol
Exact Mass286.00
IUPAC Name1-(2,4-dichlorophenyl)-2-thiophen-2-ylpropan-2-ol
SMILESCC(O)(Cc1ccc(Cl)cc1Cl)c1cccs1
InChIInChI=1S/C13H12Cl2OS/c1-13(16,12-3-2-6-17-12)8-9-4-5-10(14)7-11(9)15/h2-7,16H,8H2,1H3
InChIKeyKCWXORKTAYGCME-UHFFFAOYSA-N
XLogP4.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.21
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-difluorophenyl)-2-thiophen-2-ylpropan-2-ol
CID 63220635
1-(2-chloro-3-fluorophenyl)-2-thiophen-2-ylpropan-2-ol
CID 112652973
(2S)-2-amino-2-[(2,4-dichlorophenyl)methyl]-3,3-dimethylbutanoic acid
CID 159514027
1-(2,4-dichlorophenyl)-2-(2,5-dimethylphenyl)propan-2-ol
CID 65146932
1-(2,4-dichlorophenyl)-2-phenylpropan-2-amine
CID 62621984
1-(4-fluorophenyl)-2-thiophen-2-ylpropan-2-ol
CID 63220221
[1-(2,4-dichlorophenyl)-2-methylpropan-2-yl]-hydroxy-dimethylsilane
CID 70809258
N-[(5-chloro-2-fluorophenyl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 114842503
N-[1-(2,5-dichlorophenyl)ethyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 80526104
1-(1-methylpyrazol-4-yl)-2-thiophen-2-ylpropan-2-ol
CID 63220271
1-(2,4-dichlorophenyl)-3-(ethylamino)-2-methylpropan-2-ol
CID 66039611
1-(2,4-dichlorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-ol
CID 114833275

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-2-thiophen-2-ylpropan-2-ol?
The IUPAC name of 1-(2,4-dichlorophenyl)-2-thiophen-2-ylpropan-2-ol (CID 65145566) is 1-(2,4-dichlorophenyl)-2-thiophen-2-ylpropan-2-ol.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-2-thiophen-2-ylpropan-2-ol?
The canonical SMILES for 1-(2,4-dichlorophenyl)-2-thiophen-2-ylpropan-2-ol is CC(O)(Cc1ccc(Cl)cc1Cl)c1cccs1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-2-thiophen-2-ylpropan-2-ol?
The InChIKey is KCWXORKTAYGCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2OS/c1-13(16,12-3-2-6-17-12)8-9-4-5-10(14)7-11(9)15/h2-7,16H,8H2,1H3.
What are the key properties of 1-(2,4-dichlorophenyl)-2-thiophen-2-ylpropan-2-ol?
1-(2,4-dichlorophenyl)-2-thiophen-2-ylpropan-2-ol has a molecular weight of 287.21 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-2-thiophen-2-ylpropan-2-ol is sourced from PubChem (CID 65145566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).