1-methoxy-4-(methylsulfinylmethoxy)benzene

C9H12O3S — CID 14224435

IUPAC1-methoxy-4-(methylsulfinylmethoxy)benzene
SMILESCOc1ccc(OCS(C)=O)cc1
InChIInChI=1S/C9H12O3S/c1-11-8-3-5-9(6-4-8)12-7-13(2)10/h3-6H,7H2,1-2H3
InChIKeyHMYDHEJQYSAFHX-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.41
Rot. Bonds4

About 1-methoxy-4-(methylsulfinylmethoxy)benzene

1-methoxy-4-(methylsulfinylmethoxy)benzene (PubChem CID 14224435) has the molecular formula C9H12O3S and a molecular weight of 200.26 g/mol. Its IUPAC name is 1-methoxy-4-(methylsulfinylmethoxy)benzene.

Molecular Properties

Compound Name1-methoxy-4-(methylsulfinylmethoxy)benzene
PubChem CID14224435
Molecular FormulaC9H12O3S
Molecular Weight200.26 g/mol
Exact Mass200.05
IUPAC Name1-methoxy-4-(methylsulfinylmethoxy)benzene
SMILESCOc1ccc(OCS(C)=O)cc1
InChIInChI=1S/C9H12O3S/c1-11-8-3-5-9(6-4-8)12-7-13(2)10/h3-6H,7H2,1-2H3
InChIKeyHMYDHEJQYSAFHX-UHFFFAOYSA-N
XLogP1.41
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-4-(113C)methylsulfinylbenzene
CID 58500277
sodium 2-(4-methoxyphenoxy)ethanesulfinate
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(4-methoxyphenoxy)methanol
CID 20580272
1-methoxy-4-[4-(methoxymethoxy)phenyl]benzene
CID 58029226
1-(4-methoxyphenoxy)-2-methylpropan-2-amine
CID 18349748
1-(4-methoxyphenoxy)-N-methylmethanamine
CID 22961125
1-methoxy-4-[2-(4-methylphenoxy)ethoxy]benzene
CID 2284217
1-(2-chloroethoxy)-4-methoxybenzene
CID 10081150
bis[[(S)-(4-methoxyphenyl)sulfinyl]methoxy]-oxophosphanium
CID 175504483
1,4-bis(methoxymethoxy)benzene
CID 542643
1-(4-methoxyphenoxy)butane-2,3-dione
CID 69127399
triethoxy-[(4-methoxyphenoxy)methyl]silane
CID 71395637

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-(methylsulfinylmethoxy)benzene?
The IUPAC name of 1-methoxy-4-(methylsulfinylmethoxy)benzene (CID 14224435) is 1-methoxy-4-(methylsulfinylmethoxy)benzene.
What is the SMILES notation for 1-methoxy-4-(methylsulfinylmethoxy)benzene?
The canonical SMILES for 1-methoxy-4-(methylsulfinylmethoxy)benzene is COc1ccc(OCS(C)=O)cc1.
What is the InChIKey of 1-methoxy-4-(methylsulfinylmethoxy)benzene?
The InChIKey is HMYDHEJQYSAFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3S/c1-11-8-3-5-9(6-4-8)12-7-13(2)10/h3-6H,7H2,1-2H3.
What are the key properties of 1-methoxy-4-(methylsulfinylmethoxy)benzene?
1-methoxy-4-(methylsulfinylmethoxy)benzene has a molecular weight of 200.26 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(methylsulfinylmethoxy)benzene is sourced from PubChem (CID 14224435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).