2-(3,6-dimethoxy-2-methylsulfanylphenyl)-2-methylpropan-1-ol

C13H20O3S — CID 117394664

IUPAC2-(3,6-dimethoxy-2-methylsulfanylphenyl)-2-methylpropan-1-ol
SMILESCOc1ccc(OC)c(C(C)(C)CO)c1SC
InChIInChI=1S/C13H20O3S/c1-13(2,8-14)11-9(15-3)6-7-10(16-4)12(11)17-5/h6-7,14H,8H2,1-5H3
InChIKeyISEDVWUIXJALPO-UHFFFAOYSA-N
MW256.37 g/mol
LogP2.70
Rot. Bonds5

About 2-(3,6-dimethoxy-2-methylsulfanylphenyl)-2-methylpropan-1-ol

2-(3,6-dimethoxy-2-methylsulfanylphenyl)-2-methylpropan-1-ol (PubChem CID 117394664) has the molecular formula C13H20O3S and a molecular weight of 256.37 g/mol. Its IUPAC name is 2-(3,6-dimethoxy-2-methylsulfanylphenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(3,6-dimethoxy-2-methylsulfanylphenyl)-2-methylpropan-1-ol
PubChem CID117394664
Molecular FormulaC13H20O3S
Molecular Weight256.37 g/mol
Exact Mass256.11
IUPAC Name2-(3,6-dimethoxy-2-methylsulfanylphenyl)-2-methylpropan-1-ol
SMILESCOc1ccc(OC)c(C(C)(C)CO)c1SC
InChIInChI=1S/C13H20O3S/c1-13(2,8-14)11-9(15-3)6-7-10(16-4)12(11)17-5/h6-7,14H,8H2,1-5H3
InChIKeyISEDVWUIXJALPO-UHFFFAOYSA-N
XLogP2.70
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-fluoro-6-methoxy-2-methylphenyl)-2-methylpropan-1-ol
CID 117303163
2-(2-bromo-3,6-dimethoxyphenyl)-2-methylpropan-1-ol
CID 117466981
2-(6-fluoro-3-methoxy-2-methylphenyl)-2-methylpropan-1-ol
CID 117303162
2-(4-fluoro-3-methoxyphenyl)-2-methylpropan-1-ol
CID 83686232
2-(4-methoxy-3-methylphenyl)-2-methylpropan-1-ol
CID 82125771
2-(6-bromo-2-ethoxy-3-methoxyphenyl)-2-methylpropan-1-ol
CID 117488224
2-(3-chloro-2-fluoro-4-methoxyphenyl)-2-methylpropan-1-ol
CID 117337255
2-[2-methoxy-5-(trifluoromethyl)phenyl]-2-methylpropan-1-ol
CID 117373100
2-(3-chloro-6-fluoro-2-methoxyphenyl)-2-methylpropan-1-ol
CID 117337251
2-(3-tert-butyl-4-methoxyphenyl)-2-methylpropan-1-ol
CID 82129591
2-(3-chloro-4-methoxyphenyl)-2-methylpropan-1-ol
CID 82126929
2-(2-methoxy-4-methyl-5-methylsulfanylphenyl)-2-methylpropan-1-ol
CID 117353825

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dimethoxy-2-methylsulfanylphenyl)-2-methylpropan-1-ol?
The IUPAC name of 2-(3,6-dimethoxy-2-methylsulfanylphenyl)-2-methylpropan-1-ol (CID 117394664) is 2-(3,6-dimethoxy-2-methylsulfanylphenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(3,6-dimethoxy-2-methylsulfanylphenyl)-2-methylpropan-1-ol?
The canonical SMILES for 2-(3,6-dimethoxy-2-methylsulfanylphenyl)-2-methylpropan-1-ol is COc1ccc(OC)c(C(C)(C)CO)c1SC.
What is the InChIKey of 2-(3,6-dimethoxy-2-methylsulfanylphenyl)-2-methylpropan-1-ol?
The InChIKey is ISEDVWUIXJALPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3S/c1-13(2,8-14)11-9(15-3)6-7-10(16-4)12(11)17-5/h6-7,14H,8H2,1-5H3.
What are the key properties of 2-(3,6-dimethoxy-2-methylsulfanylphenyl)-2-methylpropan-1-ol?
2-(3,6-dimethoxy-2-methylsulfanylphenyl)-2-methylpropan-1-ol has a molecular weight of 256.37 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dimethoxy-2-methylsulfanylphenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 117394664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).