1-(5-chlorothiophen-2-yl)-3-(3,4-dimethylphenyl)propan-2-ol

C15H17ClOS — CID 62899782

IUPAC1-(5-chlorothiophen-2-yl)-3-(3,4-dimethylphenyl)propan-2-ol
SMILESCc1ccc(CC(O)Cc2ccc(Cl)s2)cc1C
InChIInChI=1S/C15H17ClOS/c1-10-3-4-12(7-11(10)2)8-13(17)9-14-5-6-15(16)18-14/h3-7,13,17H,8-9H2,1-2H3
InChIKeyWWSKWKULHPALOA-UHFFFAOYSA-N
MW280.82 g/mol
LogP4.16
Rot. Bonds4

About 1-(5-chlorothiophen-2-yl)-3-(3,4-dimethylphenyl)propan-2-ol

1-(5-chlorothiophen-2-yl)-3-(3,4-dimethylphenyl)propan-2-ol (PubChem CID 62899782) has the molecular formula C15H17ClOS and a molecular weight of 280.82 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-3-(3,4-dimethylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-3-(3,4-dimethylphenyl)propan-2-ol
PubChem CID62899782
Molecular FormulaC15H17ClOS
Molecular Weight280.82 g/mol
Exact Mass280.07
IUPAC Name1-(5-chlorothiophen-2-yl)-3-(3,4-dimethylphenyl)propan-2-ol
SMILESCc1ccc(CC(O)Cc2ccc(Cl)s2)cc1C
InChIInChI=1S/C15H17ClOS/c1-10-3-4-12(7-11(10)2)8-13(17)9-14-5-6-15(16)18-14/h3-7,13,17H,8-9H2,1-2H3
InChIKeyWWSKWKULHPALOA-UHFFFAOYSA-N
XLogP4.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.82
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chlorothiophen-2-yl)-3-(3,4-dimethylphenyl)propan-2-amine
CID 62899977
1-(5-chlorothiophen-2-yl)-2-(3,4-dimethylphenyl)ethanol
CID 62537661
1-(2-chloro-4-methylphenyl)-3-(3,4-dimethylphenyl)propan-2-ol
CID 106867310
1-(2,5-dichlorophenyl)-3-(3,4-dimethylphenyl)propan-2-ol
CID 65321613
1-(5-chlorothiophen-2-yl)-3-methylsulfanylpropan-2-ol
CID 62691720
1-(2-chloro-3-fluorophenyl)-3-(3,4-dimethylphenyl)propan-2-ol
CID 115983563
1-(dimethylamino)-3-(3,4-dimethylphenyl)propan-2-ol
CID 79087098
1-(5-chlorothiophen-2-yl)-4-(dimethylamino)butan-2-ol
CID 115346039
1-(2-chloro-4,5-dimethylphenyl)-2-(3,4-dimethylphenyl)ethanol
CID 115484564
1-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)propan-2-ol
CID 55118276
1-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)sulfanylpropan-2-ol
CID 66065578
1-(4-bromo-5-methylthiophen-2-yl)-2-(5-chlorothiophen-2-yl)ethanol
CID 102829535

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-3-(3,4-dimethylphenyl)propan-2-ol?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-3-(3,4-dimethylphenyl)propan-2-ol (CID 62899782) is 1-(5-chlorothiophen-2-yl)-3-(3,4-dimethylphenyl)propan-2-ol.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-3-(3,4-dimethylphenyl)propan-2-ol?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-3-(3,4-dimethylphenyl)propan-2-ol is Cc1ccc(CC(O)Cc2ccc(Cl)s2)cc1C.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-3-(3,4-dimethylphenyl)propan-2-ol?
The InChIKey is WWSKWKULHPALOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClOS/c1-10-3-4-12(7-11(10)2)8-13(17)9-14-5-6-15(16)18-14/h3-7,13,17H,8-9H2,1-2H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-3-(3,4-dimethylphenyl)propan-2-ol?
1-(5-chlorothiophen-2-yl)-3-(3,4-dimethylphenyl)propan-2-ol has a molecular weight of 280.82 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-3-(3,4-dimethylphenyl)propan-2-ol is sourced from PubChem (CID 62899782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).