[chlorosulfonyloxy(methoxy)methoxy]methylbenzene

C9H11ClO5S — CID 175443865

IUPAC[chlorosulfonyloxy(methoxy)methoxy]methylbenzene
SMILESCOC(OCc1ccccc1)OS(=O)(=O)Cl
InChIInChI=1S/C9H11ClO5S/c1-13-9(15-16(10,11)12)14-7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3
InChIKeyMGMBRGYIVPTUJK-UHFFFAOYSA-N
MW266.70 g/mol
LogP1.63
Rot. Bonds6

About [chlorosulfonyloxy(methoxy)methoxy]methylbenzene

[chlorosulfonyloxy(methoxy)methoxy]methylbenzene (PubChem CID 175443865) has the molecular formula C9H11ClO5S and a molecular weight of 266.70 g/mol. Its IUPAC name is [chlorosulfonyloxy(methoxy)methoxy]methylbenzene.

Molecular Properties

Compound Name[chlorosulfonyloxy(methoxy)methoxy]methylbenzene
PubChem CID175443865
Molecular FormulaC9H11ClO5S
Molecular Weight266.70 g/mol
Exact Mass266.00
IUPAC Name[chlorosulfonyloxy(methoxy)methoxy]methylbenzene
SMILESCOC(OCc1ccccc1)OS(=O)(=O)Cl
InChIInChI=1S/C9H11ClO5S/c1-13-9(15-16(10,11)12)14-7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3
InChIKeyMGMBRGYIVPTUJK-UHFFFAOYSA-N
XLogP1.63
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.70
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[methoxy-[methoxy(phenylmethoxy)methoxy]methoxy]methylbenzene
CID 57002488
2-methoxy-2-phenylmethoxyacetaldehyde
CID 87601586
1-chloroethoxymethylbenzene
CID 12510706
[(1R)-2,2,2-trifluoro-1-phenylmethoxyethyl] methanesulfonate
CID 15970770
2-methoxy-3-phenylpropane-1-sulfonyl chloride
CID 115046417
1,3,4-trimethoxybutan-2-yloxymethylbenzene
CID 561767
[(1R)-1-methoxyprop-2-enoxy]methylbenzene
CID 126647784
lithium;hydride;methoxymethylbenzene
CID 174456658
1,3-dichloropropan-2-yloxymethylbenzene
CID 5155009
[(2R)-3-methylbutan-2-yl]oxymethylbenzene
CID 59976472
methyl 4-[bis(phenylmethoxy)methoxy]benzoate
CID 142638924
(2R,3R)-3-methoxy-3-phenyl-2-phenylmethoxypropanal
CID 52912809

Frequently Asked Questions

What is the IUPAC name of [chlorosulfonyloxy(methoxy)methoxy]methylbenzene?
The IUPAC name of [chlorosulfonyloxy(methoxy)methoxy]methylbenzene (CID 175443865) is [chlorosulfonyloxy(methoxy)methoxy]methylbenzene.
What is the SMILES notation for [chlorosulfonyloxy(methoxy)methoxy]methylbenzene?
The canonical SMILES for [chlorosulfonyloxy(methoxy)methoxy]methylbenzene is COC(OCc1ccccc1)OS(=O)(=O)Cl.
What is the InChIKey of [chlorosulfonyloxy(methoxy)methoxy]methylbenzene?
The InChIKey is MGMBRGYIVPTUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO5S/c1-13-9(15-16(10,11)12)14-7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3.
What are the key properties of [chlorosulfonyloxy(methoxy)methoxy]methylbenzene?
[chlorosulfonyloxy(methoxy)methoxy]methylbenzene has a molecular weight of 266.70 g/mol, XLogP of 1.63, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [chlorosulfonyloxy(methoxy)methoxy]methylbenzene is sourced from PubChem (CID 175443865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).