2-(4-methoxy-2,3,6-trimethylphenyl)sulfanyl-2-methylpropan-1-ol

C14H22O2S — CID 116852374

IUPAC2-(4-methoxy-2,3,6-trimethylphenyl)sulfanyl-2-methylpropan-1-ol
SMILESCOc1cc(C)c(SC(C)(C)CO)c(C)c1C
InChIInChI=1S/C14H22O2S/c1-9-7-12(16-6)10(2)11(3)13(9)17-14(4,5)8-15/h7,15H,8H2,1-6H3
InChIKeyITIRPGBFNZXJAE-UHFFFAOYSA-N
MW254.39 g/mol
LogP3.48
Rot. Bonds4

About 2-(4-methoxy-2,3,6-trimethylphenyl)sulfanyl-2-methylpropan-1-ol

2-(4-methoxy-2,3,6-trimethylphenyl)sulfanyl-2-methylpropan-1-ol (PubChem CID 116852374) has the molecular formula C14H22O2S and a molecular weight of 254.39 g/mol. Its IUPAC name is 2-(4-methoxy-2,3,6-trimethylphenyl)sulfanyl-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(4-methoxy-2,3,6-trimethylphenyl)sulfanyl-2-methylpropan-1-ol
PubChem CID116852374
Molecular FormulaC14H22O2S
Molecular Weight254.39 g/mol
Exact Mass254.13
IUPAC Name2-(4-methoxy-2,3,6-trimethylphenyl)sulfanyl-2-methylpropan-1-ol
SMILESCOc1cc(C)c(SC(C)(C)CO)c(C)c1C
InChIInChI=1S/C14H22O2S/c1-9-7-12(16-6)10(2)11(3)13(9)17-14(4,5)8-15/h7,15H,8H2,1-6H3
InChIKeyITIRPGBFNZXJAE-UHFFFAOYSA-N
XLogP3.48
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.39
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxy-4,5-dimethylphenyl)sulfanyl-2-methylpropan-1-ol
CID 116852285
2-(4-methoxy-2,3,6-trimethylanilino)-2-methylpropan-1-ol
CID 115133196
2-(3-chloro-4-methoxyphenyl)sulfanyl-2-methylpropan-1-ol
CID 116852264
(3-methoxy-2,5,6-trimethylphenyl)methanol
CID 130125367
2-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropan-1-amine
CID 116962203
4-(4-methoxy-2,3,6-trimethylanilino)butan-1-ol
CID 115217429
2-(2-methoxy-4-methyl-5-methylsulfanylphenyl)-2-methylpropan-1-ol
CID 117353825
2-(2,5-dimethoxy-N,3,4-trimethylanilino)-2-methylpropan-1-ol
CID 115133353
3-(2,4-dimethoxy-3,6-dimethylphenyl)propan-1-ol
CID 117322234
2-(4,5-dimethoxy-2,3-dimethylphenyl)-2-methylpropan-1-ol
CID 117349580
2-(4-methoxy-3-methylphenyl)-2-methylpropan-1-ol
CID 82125771
2-(5-chloro-4-methoxy-2-methylanilino)-2-methylpropan-1-ol
CID 115133125

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-2,3,6-trimethylphenyl)sulfanyl-2-methylpropan-1-ol?
The IUPAC name of 2-(4-methoxy-2,3,6-trimethylphenyl)sulfanyl-2-methylpropan-1-ol (CID 116852374) is 2-(4-methoxy-2,3,6-trimethylphenyl)sulfanyl-2-methylpropan-1-ol.
What is the SMILES notation for 2-(4-methoxy-2,3,6-trimethylphenyl)sulfanyl-2-methylpropan-1-ol?
The canonical SMILES for 2-(4-methoxy-2,3,6-trimethylphenyl)sulfanyl-2-methylpropan-1-ol is COc1cc(C)c(SC(C)(C)CO)c(C)c1C.
What is the InChIKey of 2-(4-methoxy-2,3,6-trimethylphenyl)sulfanyl-2-methylpropan-1-ol?
The InChIKey is ITIRPGBFNZXJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2S/c1-9-7-12(16-6)10(2)11(3)13(9)17-14(4,5)8-15/h7,15H,8H2,1-6H3.
What are the key properties of 2-(4-methoxy-2,3,6-trimethylphenyl)sulfanyl-2-methylpropan-1-ol?
2-(4-methoxy-2,3,6-trimethylphenyl)sulfanyl-2-methylpropan-1-ol has a molecular weight of 254.39 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-2,3,6-trimethylphenyl)sulfanyl-2-methylpropan-1-ol is sourced from PubChem (CID 116852374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).