1-(4-methoxyphenyl)-2,2-bis(methylsulfanyl)ethenol

C11H14O2S2 — CID 10444427

IUPAC1-(4-methoxyphenyl)-2,2-bis(methylsulfanyl)ethenol
SMILESCOc1ccc(C(O)=C(SC)SC)cc1
InChIInChI=1S/C11H14O2S2/c1-13-9-6-4-8(5-7-9)10(12)11(14-2)15-3/h4-7,12H,1-3H3
InChIKeyDDKMINMYBIPOOA-UHFFFAOYSA-N
MW242.36 g/mol
LogP3.61
Rot. Bonds4

About 1-(4-methoxyphenyl)-2,2-bis(methylsulfanyl)ethenol

1-(4-methoxyphenyl)-2,2-bis(methylsulfanyl)ethenol (PubChem CID 10444427) has the molecular formula C11H14O2S2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2,2-bis(methylsulfanyl)ethenol.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2,2-bis(methylsulfanyl)ethenol
PubChem CID10444427
Molecular FormulaC11H14O2S2
Molecular Weight242.36 g/mol
Exact Mass242.04
IUPAC Name1-(4-methoxyphenyl)-2,2-bis(methylsulfanyl)ethenol
SMILESCOc1ccc(C(O)=C(SC)SC)cc1
InChIInChI=1S/C11H14O2S2/c1-13-9-6-4-8(5-7-9)10(12)11(14-2)15-3/h4-7,12H,1-3H3
InChIKeyDDKMINMYBIPOOA-UHFFFAOYSA-N
XLogP3.61
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

CID 12714057
CID 12714057
S-methyl 2-(4-methoxyphenyl)-2-oxoethanethioate
CID 12957088
2-[2-chloro-1-(4-methoxyphenyl)-3,3-bis(methylsulfanyl)prop-2-enylidene]propanedinitrile
CID 4167031
actinium;1-(4-methoxyphenyl)ethenol
CID 22892785
4-methoxybenzoic acid;silver
CID 140722019
4-methoxybenzoic acid;hydrobromide
CID 172731707
N-[bis(methylsulfanyl)methylidene]-4-methoxybenzamide
CID 12571173
1-methoxy-4-[(E)-1-methylsulfanylprop-1-en-2-yl]benzene
CID 134934706
S-methylsulfanyl 4-methoxybenzenecarbothioate
CID 15469179
(4-methoxyphenyl)-tris(4-methoxybenzoyl)germylmethanone
CID 140911136
dipotassium;hydride;bis(4-methoxybenzoic acid)
CID 174966715
(E)-2-[4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-2-methylsulfanylethenamine
CID 135140978

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2,2-bis(methylsulfanyl)ethenol?
The IUPAC name of 1-(4-methoxyphenyl)-2,2-bis(methylsulfanyl)ethenol (CID 10444427) is 1-(4-methoxyphenyl)-2,2-bis(methylsulfanyl)ethenol.
What is the SMILES notation for 1-(4-methoxyphenyl)-2,2-bis(methylsulfanyl)ethenol?
The canonical SMILES for 1-(4-methoxyphenyl)-2,2-bis(methylsulfanyl)ethenol is COc1ccc(C(O)=C(SC)SC)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2,2-bis(methylsulfanyl)ethenol?
The InChIKey is DDKMINMYBIPOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2S2/c1-13-9-6-4-8(5-7-9)10(12)11(14-2)15-3/h4-7,12H,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-2,2-bis(methylsulfanyl)ethenol?
1-(4-methoxyphenyl)-2,2-bis(methylsulfanyl)ethenol has a molecular weight of 242.36 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2,2-bis(methylsulfanyl)ethenol is sourced from PubChem (CID 10444427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).