1-methoxy-4-(1-methylsulfanylethoxymethyl)benzene

C11H16O2S — CID 146253972

IUPAC1-methoxy-4-(1-methylsulfanylethoxymethyl)benzene
SMILESCOc1ccc(COC(C)SC)cc1
InChIInChI=1S/C11H16O2S/c1-9(14-3)13-8-10-4-6-11(12-2)7-5-10/h4-7,9H,8H2,1-3H3
InChIKeySFCQAPVMQCIHBY-UHFFFAOYSA-N
MW212.31 g/mol
LogP2.92
Rot. Bonds5

About 1-methoxy-4-(1-methylsulfanylethoxymethyl)benzene

1-methoxy-4-(1-methylsulfanylethoxymethyl)benzene (PubChem CID 146253972) has the molecular formula C11H16O2S and a molecular weight of 212.31 g/mol. Its IUPAC name is 1-methoxy-4-(1-methylsulfanylethoxymethyl)benzene.

Molecular Properties

Compound Name1-methoxy-4-(1-methylsulfanylethoxymethyl)benzene
PubChem CID146253972
Molecular FormulaC11H16O2S
Molecular Weight212.31 g/mol
Exact Mass212.09
IUPAC Name1-methoxy-4-(1-methylsulfanylethoxymethyl)benzene
SMILESCOc1ccc(COC(C)SC)cc1
InChIInChI=1S/C11H16O2S/c1-9(14-3)13-8-10-4-6-11(12-2)7-5-10/h4-7,9H,8H2,1-3H3
InChIKeySFCQAPVMQCIHBY-UHFFFAOYSA-N
XLogP2.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.31
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(1-bromoethoxymethyl)-4-methoxybenzene
CID 56989997
1-[[bis[(4-methoxyphenyl)methoxy]methoxy-[(4-methoxyphenyl)methoxy]methoxy]methyl]-4-methoxybenzene
CID 66849270
(2S)-2-[(4-methoxyphenyl)methoxy]propan-1-ol
CID 14373639
(2R)-2-[(4-methoxyphenyl)methoxy]propanal
CID 11138009
1-[[(2S)-1-iodo-3-methylbutan-2-yl]oxymethyl]-4-methoxybenzene
CID 101441058
(E,4S)-4-[(4-methoxyphenyl)methoxy]pent-2-en-1-ol
CID 56926948
1-(heptan-2-yloxymethyl)-4-methoxybenzene
CID 142701861
(2S,3S,4S)-2,3-bis[(4-methoxyphenyl)methoxy]pentane-1,4-diol
CID 121460426
methyl (3R)-3-[(4-methoxyphenyl)methoxy]butanoate
CID 10799944
propan-2-yl (2S)-2-[(4-methoxyphenyl)methoxy]propanoate
CID 141491206
(2S,3S)-3-[(4-methoxyphenyl)methoxy]-2,4-dimethylpentanal
CID 11118487
2-[(4-methoxyphenyl)methoxy]butan-1-ol
CID 146450943

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-(1-methylsulfanylethoxymethyl)benzene?
The IUPAC name of 1-methoxy-4-(1-methylsulfanylethoxymethyl)benzene (CID 146253972) is 1-methoxy-4-(1-methylsulfanylethoxymethyl)benzene.
What is the SMILES notation for 1-methoxy-4-(1-methylsulfanylethoxymethyl)benzene?
The canonical SMILES for 1-methoxy-4-(1-methylsulfanylethoxymethyl)benzene is COc1ccc(COC(C)SC)cc1.
What is the InChIKey of 1-methoxy-4-(1-methylsulfanylethoxymethyl)benzene?
The InChIKey is SFCQAPVMQCIHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2S/c1-9(14-3)13-8-10-4-6-11(12-2)7-5-10/h4-7,9H,8H2,1-3H3.
What are the key properties of 1-methoxy-4-(1-methylsulfanylethoxymethyl)benzene?
1-methoxy-4-(1-methylsulfanylethoxymethyl)benzene has a molecular weight of 212.31 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(1-methylsulfanylethoxymethyl)benzene is sourced from PubChem (CID 146253972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).