[3-(methoxymethoxy)-4-methylphenyl]methyl methanesulfinate

C11H16O4S — CID 144994290

IUPAC[3-(methoxymethoxy)-4-methylphenyl]methyl methanesulfinate
SMILESCOCOc1cc(COS(C)=O)ccc1C
InChIInChI=1S/C11H16O4S/c1-9-4-5-10(7-15-16(3)12)6-11(9)14-8-13-2/h4-6H,7-8H2,1-3H3
InChIKeyBLPZATCYPARWOQ-UHFFFAOYSA-N
MW244.31 g/mol
LogP1.79
Rot. Bonds6

About [3-(methoxymethoxy)-4-methylphenyl]methyl methanesulfinate

[3-(methoxymethoxy)-4-methylphenyl]methyl methanesulfinate (PubChem CID 144994290) has the molecular formula C11H16O4S and a molecular weight of 244.31 g/mol. Its IUPAC name is [3-(methoxymethoxy)-4-methylphenyl]methyl methanesulfinate.

Molecular Properties

Compound Name[3-(methoxymethoxy)-4-methylphenyl]methyl methanesulfinate
PubChem CID144994290
Molecular FormulaC11H16O4S
Molecular Weight244.31 g/mol
Exact Mass244.08
IUPAC Name[3-(methoxymethoxy)-4-methylphenyl]methyl methanesulfinate
SMILESCOCOc1cc(COS(C)=O)ccc1C
InChIInChI=1S/C11H16O4S/c1-9-4-5-10(7-15-16(3)12)6-11(9)14-8-13-2/h4-6H,7-8H2,1-3H3
InChIKeyBLPZATCYPARWOQ-UHFFFAOYSA-N
XLogP1.79
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(methoxymethoxy)-4-methylaniline
CID 65365143
2-[3-(methoxymethoxy)-4-methylphenyl]acetonitrile;[3-(methoxymethoxy)-4-methylphenyl]methanol
CID 158260809
2-methoxy-4-(methoxymethyl)-1-methylbenzene
CID 91136887
ethyl 3-(methoxymethoxy)-4-methylbenzoate;methane
CID 158776838
4-ethyl-1,2-bis(methoxymethoxy)benzene
CID 59060180
[4-chloro-3-(methoxymethoxy)phenyl]methyl acetate
CID 23074357
4-(methoxymethyl)-1-methyl-2-phenylmethoxybenzene;phenylmethanol
CID 159469456
[3-(2-methoxyethoxy)-4-methylphenyl]methanol
CID 118408450
3-[3-(methoxymethoxy)-4-methylphenyl]prop-2-yn-1-ol
CID 11469808
2-bromo-1-(methoxymethoxy)-4-(methoxymethoxymethyl)benzene
CID 57310009
[3-(3-methoxypropoxy)-4-methylphenyl]methanamine
CID 107655823
4-(isocyanatomethyl)-2-methoxy-1-(methoxymethoxy)benzene
CID 22507326

Frequently Asked Questions

What is the IUPAC name of [3-(methoxymethoxy)-4-methylphenyl]methyl methanesulfinate?
The IUPAC name of [3-(methoxymethoxy)-4-methylphenyl]methyl methanesulfinate (CID 144994290) is [3-(methoxymethoxy)-4-methylphenyl]methyl methanesulfinate.
What is the SMILES notation for [3-(methoxymethoxy)-4-methylphenyl]methyl methanesulfinate?
The canonical SMILES for [3-(methoxymethoxy)-4-methylphenyl]methyl methanesulfinate is COCOc1cc(COS(C)=O)ccc1C.
What is the InChIKey of [3-(methoxymethoxy)-4-methylphenyl]methyl methanesulfinate?
The InChIKey is BLPZATCYPARWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4S/c1-9-4-5-10(7-15-16(3)12)6-11(9)14-8-13-2/h4-6H,7-8H2,1-3H3.
What are the key properties of [3-(methoxymethoxy)-4-methylphenyl]methyl methanesulfinate?
[3-(methoxymethoxy)-4-methylphenyl]methyl methanesulfinate has a molecular weight of 244.31 g/mol, XLogP of 1.79, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methoxymethoxy)-4-methylphenyl]methyl methanesulfinate is sourced from PubChem (CID 144994290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).