2-methoxy-4-(1-methylsulfanylethyl)cyclohexa-2,4-dien-1-ol

C10H16O2S — CID 91006915

IUPAC2-methoxy-4-(1-methylsulfanylethyl)cyclohexa-2,4-dien-1-ol
SMILESCOC1=CC(C(C)SC)=CCC1O
InChIInChI=1S/C10H16O2S/c1-7(13-3)8-4-5-9(11)10(6-8)12-2/h4,6-7,9,11H,5H2,1-3H3
InChIKeyXNYUHNCHRDBMGK-UHFFFAOYSA-N
MW200.30 g/mol
LogP1.96
Rot. Bonds3

About 2-methoxy-4-(1-methylsulfanylethyl)cyclohexa-2,4-dien-1-ol

2-methoxy-4-(1-methylsulfanylethyl)cyclohexa-2,4-dien-1-ol (PubChem CID 91006915) has the molecular formula C10H16O2S and a molecular weight of 200.30 g/mol. Its IUPAC name is 2-methoxy-4-(1-methylsulfanylethyl)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name2-methoxy-4-(1-methylsulfanylethyl)cyclohexa-2,4-dien-1-ol
PubChem CID91006915
Molecular FormulaC10H16O2S
Molecular Weight200.30 g/mol
Exact Mass200.09
IUPAC Name2-methoxy-4-(1-methylsulfanylethyl)cyclohexa-2,4-dien-1-ol
SMILESCOC1=CC(C(C)SC)=CCC1O
InChIInChI=1S/C10H16O2S/c1-7(13-3)8-4-5-9(11)10(6-8)12-2/h4,6-7,9,11H,5H2,1-3H3
InChIKeyXNYUHNCHRDBMGK-UHFFFAOYSA-N
XLogP1.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-1,2-Dihydroxy-3-methyl-6-methylthiocyclohexa-3,5-diene
CID 11182901
(1S,2R)-3-(methylsulfanylmethyl)cyclohexa-3,5-diene-1,2-diol
CID 10702344
1-(5-Ethylcyclohepta-1,4,6-trien-1-yl)-2-[5-(2-methylsulfanylethyl)cyclohepta-1,4,6-trien-1-yl]oxyethanol
CID 130308139
(1S,2R)-3-[(trimethyl-lambda4-sulfanyl)methyl]cyclohexa-3,5-diene-1,2-diol
CID 142838400
5-Methyl-1-methylsulfanylhex-4-ene-2,3-diol
CID 143639829
2-[(2E,6E)-8-hydroxy-3,7-dimethylocta-2,6-dienyl]-3-methyl-5,6-dimethylidene-4-methylsulfanylcyclohexa-1,3-dien-1-ol
CID 143962524
ethane;(Z,3E)-3-ethylidene-1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]sulfanylhept-4-ene-1,2-diol;methane
CID 144565321
6-Hydroxy-5-methoxy-4-methylcyclohexa-2,4-diene-1-thione
CID 173421072
1-(3-ethylsulfanyl-2H-pyran-5-yl)ethanol
CID 175935523
(1S,2R)-3-(propylsulfanylmethyl)cyclohexa-3,5-diene-1,2-diol
CID 10987274
(1S,2R)-3-(ethylsulfanylmethyl)cyclohexa-3,5-diene-1,2-diol
CID 11126998
(1R,2R)-3-methyl-6-methylsulfanylcyclohexa-3,5-diene-1,2-diol
CID 11480721

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(1-methylsulfanylethyl)cyclohexa-2,4-dien-1-ol?
The IUPAC name of 2-methoxy-4-(1-methylsulfanylethyl)cyclohexa-2,4-dien-1-ol (CID 91006915) is 2-methoxy-4-(1-methylsulfanylethyl)cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 2-methoxy-4-(1-methylsulfanylethyl)cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 2-methoxy-4-(1-methylsulfanylethyl)cyclohexa-2,4-dien-1-ol is COC1=CC(C(C)SC)=CCC1O.
What is the InChIKey of 2-methoxy-4-(1-methylsulfanylethyl)cyclohexa-2,4-dien-1-ol?
The InChIKey is XNYUHNCHRDBMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2S/c1-7(13-3)8-4-5-9(11)10(6-8)12-2/h4,6-7,9,11H,5H2,1-3H3.
What are the key properties of 2-methoxy-4-(1-methylsulfanylethyl)cyclohexa-2,4-dien-1-ol?
2-methoxy-4-(1-methylsulfanylethyl)cyclohexa-2,4-dien-1-ol has a molecular weight of 200.30 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(1-methylsulfanylethyl)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 91006915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).