4-(4-ethylsulfanylphenyl)-2-methylbutan-2-ol

C13H20OS — CID 96659553

IUPAC4-(4-ethylsulfanylphenyl)-2-methylbutan-2-ol
SMILESCCSc1ccc(CCC(C)(C)O)cc1
InChIInChI=1S/C13H20OS/c1-4-15-12-7-5-11(6-8-12)9-10-13(2,3)14/h5-8,14H,4,9-10H2,1-3H3
InChIKeyQXZPRYGOSCFNHK-UHFFFAOYSA-N
MW224.37 g/mol
LogP3.50
Rot. Bonds5

About 4-(4-ethylsulfanylphenyl)-2-methylbutan-2-ol

4-(4-ethylsulfanylphenyl)-2-methylbutan-2-ol (PubChem CID 96659553) has the molecular formula C13H20OS and a molecular weight of 224.37 g/mol. Its IUPAC name is 4-(4-ethylsulfanylphenyl)-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-(4-ethylsulfanylphenyl)-2-methylbutan-2-ol
PubChem CID96659553
Molecular FormulaC13H20OS
Molecular Weight224.37 g/mol
Exact Mass224.12
IUPAC Name4-(4-ethylsulfanylphenyl)-2-methylbutan-2-ol
SMILESCCSc1ccc(CCC(C)(C)O)cc1
InChIInChI=1S/C13H20OS/c1-4-15-12-7-5-11(6-8-12)9-10-13(2,3)14/h5-8,14H,4,9-10H2,1-3H3
InChIKeyQXZPRYGOSCFNHK-UHFFFAOYSA-N
XLogP3.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-ethylsulfanylphenyl)butan-2-one
CID 96657765
3-[2-(4-ethylsulfanylphenyl)ethylamino]-2,2-dimethylpropan-1-ol
CID 115135480
1-ethylsulfanyl-4-(2-methoxyethyl)benzene
CID 134320195
1-but-3-ynyl-4-ethylsulfanylbenzene
CID 83935869
2-methyl-6-(4-methylsulfanylphenyl)hexan-2-ol
CID 98015312
4-[4-(aminooxymethyl)phenyl]-2-methylbutan-2-ol
CID 117111157
3-methylpentan-3-ol;2-methyl-4-phenylbutan-2-ol
CID 69277375
4-(4-ethylsulfanylphenyl)-3,3-dimethylbutan-1-amine
CID 116925153
(4-ethylsulfanylphenyl)methanamine
CID 12842467
1-N-[2-(4-ethylsulfanylphenyl)ethyl]-2-N,2-dimethylpropane-1,2-diamine
CID 115222457
N-[2-(4-ethylsulfanylphenyl)ethyl]acetamide
CID 110790662
1-(2-ethylperoxyethyl)-4-ethylsulfanylbenzene
CID 87085267

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylsulfanylphenyl)-2-methylbutan-2-ol?
The IUPAC name of 4-(4-ethylsulfanylphenyl)-2-methylbutan-2-ol (CID 96659553) is 4-(4-ethylsulfanylphenyl)-2-methylbutan-2-ol.
What is the SMILES notation for 4-(4-ethylsulfanylphenyl)-2-methylbutan-2-ol?
The canonical SMILES for 4-(4-ethylsulfanylphenyl)-2-methylbutan-2-ol is CCSc1ccc(CCC(C)(C)O)cc1.
What is the InChIKey of 4-(4-ethylsulfanylphenyl)-2-methylbutan-2-ol?
The InChIKey is QXZPRYGOSCFNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20OS/c1-4-15-12-7-5-11(6-8-12)9-10-13(2,3)14/h5-8,14H,4,9-10H2,1-3H3.
What are the key properties of 4-(4-ethylsulfanylphenyl)-2-methylbutan-2-ol?
4-(4-ethylsulfanylphenyl)-2-methylbutan-2-ol has a molecular weight of 224.37 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylsulfanylphenyl)-2-methylbutan-2-ol is sourced from PubChem (CID 96659553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).