2-(2,2-dimethoxyethylsulfonylmethyl)-1,4-dimethoxynaphthalene

C17H22O6S — CID 101000982

IUPAC2-(2,2-dimethoxyethylsulfonylmethyl)-1,4-dimethoxynaphthalene
SMILESCOc1cc(CS(=O)(=O)CC(OC)OC)c(OC)c2ccccc12
InChIInChI=1S/C17H22O6S/c1-20-15-9-12(10-24(18,19)11-16(21-2)22-3)17(23-4)14-8-6-5-7-13(14)15/h5-9,16H,10-11H2,1-4H3
InChIKeyLDPZDTNGGGKVMV-UHFFFAOYSA-N
MW354.42 g/mol
LogP2.39
Rot. Bonds8

About 2-(2,2-dimethoxyethylsulfonylmethyl)-1,4-dimethoxynaphthalene

2-(2,2-dimethoxyethylsulfonylmethyl)-1,4-dimethoxynaphthalene (PubChem CID 101000982) has the molecular formula C17H22O6S and a molecular weight of 354.42 g/mol. Its IUPAC name is 2-(2,2-dimethoxyethylsulfonylmethyl)-1,4-dimethoxynaphthalene.

Molecular Properties

Compound Name2-(2,2-dimethoxyethylsulfonylmethyl)-1,4-dimethoxynaphthalene
PubChem CID101000982
Molecular FormulaC17H22O6S
Molecular Weight354.42 g/mol
Exact Mass354.11
IUPAC Name2-(2,2-dimethoxyethylsulfonylmethyl)-1,4-dimethoxynaphthalene
SMILESCOc1cc(CS(=O)(=O)CC(OC)OC)c(OC)c2ccccc12
InChIInChI=1S/C17H22O6S/c1-20-15-9-12(10-24(18,19)11-16(21-2)22-3)17(23-4)14-8-6-5-7-13(14)15/h5-9,16H,10-11H2,1-4H3
InChIKeyLDPZDTNGGGKVMV-UHFFFAOYSA-N
XLogP2.39
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.42
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1,4-dimethoxy-2-(methoxymethyl)naphthalene
CID 143782720
2,2-dimethoxyethylsulfonylmethylbenzene
CID 66221543
3-(1,4-dimethoxynaphthalen-2-yl)-2-(methylamino)propan-1-one;tungsten
CID 59623856
(1,4-dimethoxynaphthalen-2-yl)methyl selenocyanate
CID 51040592
(1,4-dimethoxy-3-methylnaphthalen-2-yl)methanol;(1,4-dimethoxynaphthalen-2-yl)methanol
CID 160859326
(1,4-dimethoxy-3-methylsulfanylnaphthalen-2-yl)methanol;(1,4-dimethoxynaphthalen-2-yl)methanol
CID 159541099
1,4-dimethoxy-2-(2-methoxyphenyl)naphthalene
CID 161363992
2-(2,2-dimethoxyethylsulfonyl)naphthalene
CID 66223688
1,4-dimethoxy-2-methylsulfinylnaphthalene
CID 139590661
4-methoxy-3-(2-methylbutylsulfonylmethyl)aniline
CID 107751659
2-amino-1-(1,4-dimethoxynaphthalen-2-yl)propan-1-ol
CID 22041745
(2-butyl-4-methoxynaphthalen-1-yl) (2S)-2-amino-3-methylbutanoate
CID 14100498

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethoxyethylsulfonylmethyl)-1,4-dimethoxynaphthalene?
The IUPAC name of 2-(2,2-dimethoxyethylsulfonylmethyl)-1,4-dimethoxynaphthalene (CID 101000982) is 2-(2,2-dimethoxyethylsulfonylmethyl)-1,4-dimethoxynaphthalene.
What is the SMILES notation for 2-(2,2-dimethoxyethylsulfonylmethyl)-1,4-dimethoxynaphthalene?
The canonical SMILES for 2-(2,2-dimethoxyethylsulfonylmethyl)-1,4-dimethoxynaphthalene is COc1cc(CS(=O)(=O)CC(OC)OC)c(OC)c2ccccc12.
What is the InChIKey of 2-(2,2-dimethoxyethylsulfonylmethyl)-1,4-dimethoxynaphthalene?
The InChIKey is LDPZDTNGGGKVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O6S/c1-20-15-9-12(10-24(18,19)11-16(21-2)22-3)17(23-4)14-8-6-5-7-13(14)15/h5-9,16H,10-11H2,1-4H3.
What are the key properties of 2-(2,2-dimethoxyethylsulfonylmethyl)-1,4-dimethoxynaphthalene?
2-(2,2-dimethoxyethylsulfonylmethyl)-1,4-dimethoxynaphthalene has a molecular weight of 354.42 g/mol, XLogP of 2.39, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethoxyethylsulfonylmethyl)-1,4-dimethoxynaphthalene is sourced from PubChem (CID 101000982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).