1-(5-ethylthiophen-2-yl)-2-(2,4,6-trimethylphenyl)ethanol

C17H22OS — CID 63896096

IUPAC1-(5-ethylthiophen-2-yl)-2-(2,4,6-trimethylphenyl)ethanol
SMILESCCc1ccc(C(O)Cc2c(C)cc(C)cc2C)s1
InChIInChI=1S/C17H22OS/c1-5-14-6-7-17(19-14)16(18)10-15-12(3)8-11(2)9-13(15)4/h6-9,16,18H,5,10H2,1-4H3
InChIKeyXGHVHCCUSOPWFN-UHFFFAOYSA-N
MW274.43 g/mol
LogP4.51
Rot. Bonds4

About 1-(5-ethylthiophen-2-yl)-2-(2,4,6-trimethylphenyl)ethanol

1-(5-ethylthiophen-2-yl)-2-(2,4,6-trimethylphenyl)ethanol (PubChem CID 63896096) has the molecular formula C17H22OS and a molecular weight of 274.43 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)-2-(2,4,6-trimethylphenyl)ethanol.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)-2-(2,4,6-trimethylphenyl)ethanol
PubChem CID63896096
Molecular FormulaC17H22OS
Molecular Weight274.43 g/mol
Exact Mass274.14
IUPAC Name1-(5-ethylthiophen-2-yl)-2-(2,4,6-trimethylphenyl)ethanol
SMILESCCc1ccc(C(O)Cc2c(C)cc(C)cc2C)s1
InChIInChI=1S/C17H22OS/c1-5-14-6-7-17(19-14)16(18)10-15-12(3)8-11(2)9-13(15)4/h6-9,16,18H,5,10H2,1-4H3
InChIKeyXGHVHCCUSOPWFN-UHFFFAOYSA-N
XLogP4.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethylphenyl)-1-(5-ethylthiophen-2-yl)ethanol
CID 63896090
2-(2,4-difluorophenyl)-1-(5-ethylthiophen-2-yl)ethanol
CID 63893810
1-(5-ethylthiophen-2-yl)dodecan-1-ol
CID 65426188
1-(5-ethylthiophen-2-yl)-3,3,3-trifluoropropan-1-ol
CID 61100350
2-(5-bromo-2-methoxyphenyl)-1-(5-ethylthiophen-2-yl)ethanol
CID 63893813
2-(4-chloro-3-fluorophenyl)-1-(5-ethylthiophen-2-yl)ethanol
CID 107883554
(3,4-dimethylphenyl)-(5-ethylthiophen-2-yl)methanol
CID 61100003
1-(thiadiazol-5-yl)-2-(2,4,6-trimethylphenyl)ethanol
CID 105084249
3-(5-ethylthiophen-2-yl)butan-2-ol
CID 66436532
(5-ethylthiophen-2-yl)-(2,3,4,5,6-pentamethylphenyl)methanol
CID 63426088
1-(5-iodo-1,3-thiazol-2-yl)-2-(2,4,6-trimethylphenyl)ethanol
CID 112755578
2-[chloro-(3-chloro-5-methylphenyl)methyl]-5-ethylthiophene
CID 81324476

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)-2-(2,4,6-trimethylphenyl)ethanol?
The IUPAC name of 1-(5-ethylthiophen-2-yl)-2-(2,4,6-trimethylphenyl)ethanol (CID 63896096) is 1-(5-ethylthiophen-2-yl)-2-(2,4,6-trimethylphenyl)ethanol.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)-2-(2,4,6-trimethylphenyl)ethanol?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)-2-(2,4,6-trimethylphenyl)ethanol is CCc1ccc(C(O)Cc2c(C)cc(C)cc2C)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)-2-(2,4,6-trimethylphenyl)ethanol?
The InChIKey is XGHVHCCUSOPWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22OS/c1-5-14-6-7-17(19-14)16(18)10-15-12(3)8-11(2)9-13(15)4/h6-9,16,18H,5,10H2,1-4H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)-2-(2,4,6-trimethylphenyl)ethanol?
1-(5-ethylthiophen-2-yl)-2-(2,4,6-trimethylphenyl)ethanol has a molecular weight of 274.43 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)-2-(2,4,6-trimethylphenyl)ethanol is sourced from PubChem (CID 63896096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).