2,4-dimethyl-4-(3-methylphenyl)sulfanylpentan-2-ol

C14H22OS — CID 10633710

IUPAC2,4-dimethyl-4-(3-methylphenyl)sulfanylpentan-2-ol
SMILESCc1cccc(SC(C)(C)CC(C)(C)O)c1
InChIInChI=1S/C14H22OS/c1-11-7-6-8-12(9-11)16-14(4,5)10-13(2,3)15/h6-9,15H,10H2,1-5H3
InChIKeyWENMTJNFWUMBDI-UHFFFAOYSA-N
MW238.40 g/mol
LogP4.03
Rot. Bonds4

About 2,4-dimethyl-4-(3-methylphenyl)sulfanylpentan-2-ol

2,4-dimethyl-4-(3-methylphenyl)sulfanylpentan-2-ol (PubChem CID 10633710) has the molecular formula C14H22OS and a molecular weight of 238.40 g/mol. Its IUPAC name is 2,4-dimethyl-4-(3-methylphenyl)sulfanylpentan-2-ol.

Molecular Properties

Compound Name2,4-dimethyl-4-(3-methylphenyl)sulfanylpentan-2-ol
PubChem CID10633710
Molecular FormulaC14H22OS
Molecular Weight238.40 g/mol
Exact Mass238.14
IUPAC Name2,4-dimethyl-4-(3-methylphenyl)sulfanylpentan-2-ol
SMILESCc1cccc(SC(C)(C)CC(C)(C)O)c1
InChIInChI=1S/C14H22OS/c1-11-7-6-8-12(9-11)16-14(4,5)10-13(2,3)15/h6-9,15H,10H2,1-5H3
InChIKeyWENMTJNFWUMBDI-UHFFFAOYSA-N
XLogP4.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methylphenyl)sulfanylpropan-2-ol
CID 117034561
1-(2,3-dimethylbut-3-en-2-ylsulfanyl)-3-methylbenzene;ethane
CID 90837156
boric acid;2,3-dimethylbutane-2,3-diol;1,3-xylene
CID 158144841
S-(3-methylphenyl)thiohydroxylamine;pentahydrofluoride
CID 173046661
1-(3-methylphenyl)sulfanylpropan-2-ol
CID 61244165
1-methyl-3-(2-phenylsulfanylethylsulfanyl)benzene
CID 79327094
2-amino-2-methyl-5-(3-methylphenyl)sulfanylpentan-1-ol
CID 64806442
(2R)-2-(3-methylphenyl)propane-1,2-diol
CID 56926487
1,2-bis[(3-methylphenyl)sulfanyl]benzene
CID 58715664
trimethyl-(3-methylphenyl)sulfanylsilane
CID 12755162
1-methyl-3-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene
CID 143856903
2,2-dimethyl-4-(3-methylphenyl)sulfanylbutanenitrile
CID 65176604

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-4-(3-methylphenyl)sulfanylpentan-2-ol?
The IUPAC name of 2,4-dimethyl-4-(3-methylphenyl)sulfanylpentan-2-ol (CID 10633710) is 2,4-dimethyl-4-(3-methylphenyl)sulfanylpentan-2-ol.
What is the SMILES notation for 2,4-dimethyl-4-(3-methylphenyl)sulfanylpentan-2-ol?
The canonical SMILES for 2,4-dimethyl-4-(3-methylphenyl)sulfanylpentan-2-ol is Cc1cccc(SC(C)(C)CC(C)(C)O)c1.
What is the InChIKey of 2,4-dimethyl-4-(3-methylphenyl)sulfanylpentan-2-ol?
The InChIKey is WENMTJNFWUMBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22OS/c1-11-7-6-8-12(9-11)16-14(4,5)10-13(2,3)15/h6-9,15H,10H2,1-5H3.
What are the key properties of 2,4-dimethyl-4-(3-methylphenyl)sulfanylpentan-2-ol?
2,4-dimethyl-4-(3-methylphenyl)sulfanylpentan-2-ol has a molecular weight of 238.40 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-4-(3-methylphenyl)sulfanylpentan-2-ol is sourced from PubChem (CID 10633710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).