1-(5-chlorothiophen-2-yl)-2-(4-propan-2-ylphenyl)ethanol

C15H17ClOS — CID 65150022

IUPAC1-(5-chlorothiophen-2-yl)-2-(4-propan-2-ylphenyl)ethanol
SMILESCC(C)c1ccc(CC(O)c2ccc(Cl)s2)cc1
InChIInChI=1S/C15H17ClOS/c1-10(2)12-5-3-11(4-6-12)9-13(17)14-7-8-15(16)18-14/h3-8,10,13,17H,9H2,1-2H3
InChIKeyPVGKOJFDLILGHK-UHFFFAOYSA-N
MW280.82 g/mol
LogP4.80
Rot. Bonds4

About 1-(5-chlorothiophen-2-yl)-2-(4-propan-2-ylphenyl)ethanol

1-(5-chlorothiophen-2-yl)-2-(4-propan-2-ylphenyl)ethanol (PubChem CID 65150022) has the molecular formula C15H17ClOS and a molecular weight of 280.82 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-(4-propan-2-ylphenyl)ethanol.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-(4-propan-2-ylphenyl)ethanol
PubChem CID65150022
Molecular FormulaC15H17ClOS
Molecular Weight280.82 g/mol
Exact Mass280.07
IUPAC Name1-(5-chlorothiophen-2-yl)-2-(4-propan-2-ylphenyl)ethanol
SMILESCC(C)c1ccc(CC(O)c2ccc(Cl)s2)cc1
InChIInChI=1S/C15H17ClOS/c1-10(2)12-5-3-11(4-6-12)9-13(17)14-7-8-15(16)18-14/h3-8,10,13,17H,9H2,1-2H3
InChIKeyPVGKOJFDLILGHK-UHFFFAOYSA-N
XLogP4.80
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 ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chlorothiophen-2-yl)-2-(3,4-dimethylphenyl)ethanol
CID 62537661
N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2-methyl-3-(4-methylphenyl)propanamide
CID 110007680
2-(4-chlorophenyl)-1-(4-propan-2-ylphenyl)ethanol
CID 60797871
(1S)-2-chloro-1-(5-chlorothiophen-2-yl)ethanol
CID 83001660
1-(5-chlorothiophen-2-yl)-2-(methylamino)ethanol
CID 79002149
2-(4-propan-2-ylphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol
CID 115788325
1-(4-aminophenyl)-2-(4-propan-2-ylphenyl)ethanol
CID 106695441
1-(2,6-dichlorophenyl)-2-(4-propan-2-ylphenyl)ethanol
CID 65150451
1-(5-chlorothiophen-2-yl)-4-methoxypentan-1-ol
CID 105119672
1-(5-chlorothiophen-2-yl)-2-methylpropan-1-ol
CID 61088930
1-(5-chlorothiophen-2-yl)-3-methylidenepentan-1-ol
CID 115817545
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-propan-2-ylaniline
CID 43381993

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(4-propan-2-ylphenyl)ethanol?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(4-propan-2-ylphenyl)ethanol (CID 65150022) is 1-(5-chlorothiophen-2-yl)-2-(4-propan-2-ylphenyl)ethanol.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-(4-propan-2-ylphenyl)ethanol?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-(4-propan-2-ylphenyl)ethanol is CC(C)c1ccc(CC(O)c2ccc(Cl)s2)cc1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-(4-propan-2-ylphenyl)ethanol?
The InChIKey is PVGKOJFDLILGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClOS/c1-10(2)12-5-3-11(4-6-12)9-13(17)14-7-8-15(16)18-14/h3-8,10,13,17H,9H2,1-2H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-(4-propan-2-ylphenyl)ethanol?
1-(5-chlorothiophen-2-yl)-2-(4-propan-2-ylphenyl)ethanol has a molecular weight of 280.82 g/mol, XLogP of 4.80, 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)-2-(4-propan-2-ylphenyl)ethanol is sourced from PubChem (CID 65150022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).