2-methyl-6-(4-methylsulfanylphenyl)hexan-2-ol

C14H22OS — CID 98015312

IUPAC2-methyl-6-(4-methylsulfanylphenyl)hexan-2-ol
SMILESCSc1ccc(CCCCC(C)(C)O)cc1
InChIInChI=1S/C14H22OS/c1-14(2,15)11-5-4-6-12-7-9-13(16-3)10-8-12/h7-10,15H,4-6,11H2,1-3H3
InChIKeyNTAADCFUYNNXCE-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.89
Rot. Bonds6

About 2-methyl-6-(4-methylsulfanylphenyl)hexan-2-ol

2-methyl-6-(4-methylsulfanylphenyl)hexan-2-ol (PubChem CID 98015312) has the molecular formula C14H22OS and a molecular weight of 238.40 g/mol. Its IUPAC name is 2-methyl-6-(4-methylsulfanylphenyl)hexan-2-ol.

Molecular Properties

Compound Name2-methyl-6-(4-methylsulfanylphenyl)hexan-2-ol
PubChem CID98015312
Molecular FormulaC14H22OS
Molecular Weight238.40 g/mol
Exact Mass238.14
IUPAC Name2-methyl-6-(4-methylsulfanylphenyl)hexan-2-ol
SMILESCSc1ccc(CCCCC(C)(C)O)cc1
InChIInChI=1S/C14H22OS/c1-14(2,15)11-5-4-6-12-7-9-13(16-3)10-8-12/h7-10,15H,4-6,11H2,1-3H3
InChIKeyNTAADCFUYNNXCE-UHFFFAOYSA-N
XLogP3.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(4-ethylphenyl)-2-methylhexan-2-ol
CID 98014254
2-methyl-6-phenylhexan-2-ol
CID 12716611
4-(4-methylsulfanylphenyl)butan-1-amine
CID 10559771
2-methyl-6-(4-methylsulfonylphenyl)hexan-2-ol
CID 98018337
2-methyl-1-[2-(4-methylsulfanylphenyl)ethylamino]propan-2-ol
CID 98015373
2-methyl-6-[4-(2-phenylethenyl)phenyl]hexan-2-ol
CID 57130205
1-(3-bromopropyl)-4-methylsulfanylbenzene
CID 53433990
4-(4-ethylsulfanylphenyl)-2-methylbutan-2-ol
CID 96659553
2-methyl-5-[4-(trifluoromethyl)phenyl]pentan-2-ol
CID 46209743
5-(4-methylsulfanylphenyl)pentanal
CID 98014049
7-[4-[2-[3-(hydroxymethyl)phenyl]ethyl]phenyl]-2-methylheptan-2-ol
CID 141024325
1-(2-hexyl-2-methylnonyl)-4-methylsulfanylbenzene
CID 138735563

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(4-methylsulfanylphenyl)hexan-2-ol?
The IUPAC name of 2-methyl-6-(4-methylsulfanylphenyl)hexan-2-ol (CID 98015312) is 2-methyl-6-(4-methylsulfanylphenyl)hexan-2-ol.
What is the SMILES notation for 2-methyl-6-(4-methylsulfanylphenyl)hexan-2-ol?
The canonical SMILES for 2-methyl-6-(4-methylsulfanylphenyl)hexan-2-ol is CSc1ccc(CCCCC(C)(C)O)cc1.
What is the InChIKey of 2-methyl-6-(4-methylsulfanylphenyl)hexan-2-ol?
The InChIKey is NTAADCFUYNNXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22OS/c1-14(2,15)11-5-4-6-12-7-9-13(16-3)10-8-12/h7-10,15H,4-6,11H2,1-3H3.
What are the key properties of 2-methyl-6-(4-methylsulfanylphenyl)hexan-2-ol?
2-methyl-6-(4-methylsulfanylphenyl)hexan-2-ol has a molecular weight of 238.40 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(4-methylsulfanylphenyl)hexan-2-ol is sourced from PubChem (CID 98015312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).