4-methylsulfanyl-1-(2,4,6-trimethylphenyl)butan-2-ol

C14H22OS — CID 63899352

IUPAC4-methylsulfanyl-1-(2,4,6-trimethylphenyl)butan-2-ol
SMILESCSCCC(O)Cc1c(C)cc(C)cc1C
InChIInChI=1S/C14H22OS/c1-10-7-11(2)14(12(3)8-10)9-13(15)5-6-16-4/h7-8,13,15H,5-6,9H2,1-4H3
InChIKeyXODJRSURVRUFAF-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.27
Rot. Bonds5

About 4-methylsulfanyl-1-(2,4,6-trimethylphenyl)butan-2-ol

4-methylsulfanyl-1-(2,4,6-trimethylphenyl)butan-2-ol (PubChem CID 63899352) has the molecular formula C14H22OS and a molecular weight of 238.40 g/mol. Its IUPAC name is 4-methylsulfanyl-1-(2,4,6-trimethylphenyl)butan-2-ol.

Molecular Properties

Compound Name4-methylsulfanyl-1-(2,4,6-trimethylphenyl)butan-2-ol
PubChem CID63899352
Molecular FormulaC14H22OS
Molecular Weight238.40 g/mol
Exact Mass238.14
IUPAC Name4-methylsulfanyl-1-(2,4,6-trimethylphenyl)butan-2-ol
SMILESCSCCC(O)Cc1c(C)cc(C)cc1C
InChIInChI=1S/C14H22OS/c1-10-7-11(2)14(12(3)8-10)9-13(15)5-6-16-4/h7-8,13,15H,5-6,9H2,1-4H3
InChIKeyXODJRSURVRUFAF-UHFFFAOYSA-N
XLogP3.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methylsulfanyl-1-(2,4,6-trimethylphenyl)butan-2-amine
CID 105121218
5,5-dimethyl-1-(2,4,6-trimethylphenyl)hexan-2-ol
CID 114211453
4-(diethylamino)-1-(2,4,6-trimethylphenyl)butan-2-ol
CID 79086786
4-(2-methylphenyl)-1-(2,4,6-trimethylphenyl)butan-2-ol
CID 105084187
3-methyl-4-(2,4,6-trimethylphenyl)butan-2-ol
CID 11229524
1-(3,5-dimethylphenyl)-3-methylsulfanylpropan-1-ol
CID 63900161
1-(3,5-difluorophenyl)-4-methylsulfanylbutan-2-ol
CID 105402534
3-methoxy-1-(2,4,6-trimethylphenyl)butan-2-ol
CID 79616533
4-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)butan-2-ol
CID 115781964
1-(4-tert-butyl-2,6-dimethylphenyl)pentan-2-ol
CID 60797367
1-(4-bromophenyl)sulfanyl-3-(2,4,6-trimethylphenyl)propan-2-ol
CID 66056671
1-(2,6-dichlorophenyl)-5-methylsulfanylpentan-2-ol
CID 103089720

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-1-(2,4,6-trimethylphenyl)butan-2-ol?
The IUPAC name of 4-methylsulfanyl-1-(2,4,6-trimethylphenyl)butan-2-ol (CID 63899352) is 4-methylsulfanyl-1-(2,4,6-trimethylphenyl)butan-2-ol.
What is the SMILES notation for 4-methylsulfanyl-1-(2,4,6-trimethylphenyl)butan-2-ol?
The canonical SMILES for 4-methylsulfanyl-1-(2,4,6-trimethylphenyl)butan-2-ol is CSCCC(O)Cc1c(C)cc(C)cc1C.
What is the InChIKey of 4-methylsulfanyl-1-(2,4,6-trimethylphenyl)butan-2-ol?
The InChIKey is XODJRSURVRUFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22OS/c1-10-7-11(2)14(12(3)8-10)9-13(15)5-6-16-4/h7-8,13,15H,5-6,9H2,1-4H3.
What are the key properties of 4-methylsulfanyl-1-(2,4,6-trimethylphenyl)butan-2-ol?
4-methylsulfanyl-1-(2,4,6-trimethylphenyl)butan-2-ol has a molecular weight of 238.40 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-1-(2,4,6-trimethylphenyl)butan-2-ol is sourced from PubChem (CID 63899352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).