2-(4-tert-butylphenyl)-1-(2-methylsulfanylphenyl)ethanol

C19H24OS — CID 115786607

IUPAC2-(4-tert-butylphenyl)-1-(2-methylsulfanylphenyl)ethanol
SMILESCSc1ccccc1C(O)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H24OS/c1-19(2,3)15-11-9-14(10-12-15)13-17(20)16-7-5-6-8-18(16)21-4/h5-12,17,20H,13H2,1-4H3
InChIKeyMIWNDKAAKAKQJQ-UHFFFAOYSA-N
MW300.47 g/mol
LogP4.98
Rot. Bonds4

About 2-(4-tert-butylphenyl)-1-(2-methylsulfanylphenyl)ethanol

2-(4-tert-butylphenyl)-1-(2-methylsulfanylphenyl)ethanol (PubChem CID 115786607) has the molecular formula C19H24OS and a molecular weight of 300.47 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-1-(2-methylsulfanylphenyl)ethanol.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-1-(2-methylsulfanylphenyl)ethanol
PubChem CID115786607
Molecular FormulaC19H24OS
Molecular Weight300.47 g/mol
Exact Mass300.15
IUPAC Name2-(4-tert-butylphenyl)-1-(2-methylsulfanylphenyl)ethanol
SMILESCSc1ccccc1C(O)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H24OS/c1-19(2,3)15-11-9-14(10-12-15)13-17(20)16-7-5-6-8-18(16)21-4/h5-12,17,20H,13H2,1-4H3
InChIKeyMIWNDKAAKAKQJQ-UHFFFAOYSA-N
XLogP4.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-tert-butylphenyl)-1-(2-ethylphenyl)ethanol
CID 65150147
1-(3-bromo-2-fluorophenyl)-2-(4-tert-butylphenyl)ethanol
CID 107954002
4,4,4-trifluoro-1-(2-methylsulfanylphenyl)butan-1-ol
CID 115808769
(1R)-1-[2-(4-tert-butylphenyl)sulfanylphenyl]propan-1-ol
CID 103960748
2,2-dimethyl-1-(2-methylsulfanylphenyl)propan-1-ol
CID 115796515
2-(4-tert-butylphenyl)-1-(4-fluoro-2-methylphenyl)ethanol
CID 65150242
2-(4-tert-butylphenyl)-1-(2-chloro-4-fluorophenyl)ethanol
CID 63411155
1-(2-bromo-4-fluorophenyl)-2-(4-tert-butylphenyl)ethanol
CID 115786608
[1-(2-methylsulfanylphenyl)-2-(4-propan-2-ylphenyl)ethyl]hydrazine
CID 105297270
3-(4-tert-butylphenyl)-2-(2-fluorophenyl)propanenitrile
CID 82140123
2-(4-chloro-2-fluorophenyl)-1-(2-methylsulfanylphenyl)ethanol
CID 115839731
3-(4-methoxyphenyl)-1-(2-methylsulfanylphenyl)propan-1-ol
CID 115803243

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-1-(2-methylsulfanylphenyl)ethanol?
The IUPAC name of 2-(4-tert-butylphenyl)-1-(2-methylsulfanylphenyl)ethanol (CID 115786607) is 2-(4-tert-butylphenyl)-1-(2-methylsulfanylphenyl)ethanol.
What is the SMILES notation for 2-(4-tert-butylphenyl)-1-(2-methylsulfanylphenyl)ethanol?
The canonical SMILES for 2-(4-tert-butylphenyl)-1-(2-methylsulfanylphenyl)ethanol is CSc1ccccc1C(O)Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-1-(2-methylsulfanylphenyl)ethanol?
The InChIKey is MIWNDKAAKAKQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24OS/c1-19(2,3)15-11-9-14(10-12-15)13-17(20)16-7-5-6-8-18(16)21-4/h5-12,17,20H,13H2,1-4H3.
What are the key properties of 2-(4-tert-butylphenyl)-1-(2-methylsulfanylphenyl)ethanol?
2-(4-tert-butylphenyl)-1-(2-methylsulfanylphenyl)ethanol has a molecular weight of 300.47 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-1-(2-methylsulfanylphenyl)ethanol is sourced from PubChem (CID 115786607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).