1,4-dimethoxy-2-methylsulfinylnaphthalene

C13H14O3S — CID 139590661

IUPAC1,4-dimethoxy-2-methylsulfinylnaphthalene
SMILESCOc1cc(S(C)=O)c(OC)c2ccccc12
InChIInChI=1S/C13H14O3S/c1-15-11-8-12(17(3)14)13(16-2)10-7-5-4-6-9(10)11/h4-8H,1-3H3
InChIKeyXSMOSYUKLPYTRX-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.59
Rot. Bonds3

About 1,4-dimethoxy-2-methylsulfinylnaphthalene

1,4-dimethoxy-2-methylsulfinylnaphthalene (PubChem CID 139590661) has the molecular formula C13H14O3S and a molecular weight of 250.32 g/mol. Its IUPAC name is 1,4-dimethoxy-2-methylsulfinylnaphthalene.

Molecular Properties

Compound Name1,4-dimethoxy-2-methylsulfinylnaphthalene
PubChem CID139590661
Molecular FormulaC13H14O3S
Molecular Weight250.32 g/mol
Exact Mass250.07
IUPAC Name1,4-dimethoxy-2-methylsulfinylnaphthalene
SMILESCOc1cc(S(C)=O)c(OC)c2ccccc12
InChIInChI=1S/C13H14O3S/c1-15-11-8-12(17(3)14)13(16-2)10-7-5-4-6-9(10)11/h4-8H,1-3H3
InChIKeyXSMOSYUKLPYTRX-UHFFFAOYSA-N
XLogP2.59
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-dimethoxy-2-(2-methoxyphenyl)naphthalene
CID 161363992
1,2-dimethoxy-4-nitronaphthalene
CID 12579212
1,4-dimethoxy-2-(methoxymethyl)naphthalene
CID 143782720
2,4-dimethoxynaphthalen-1-ol
CID 12563547
(2,4-dimethoxynaphthalen-1-yl) N-tert-butylcarbamate
CID 19872900
1,4,9,10-tetramethoxyanthracene-2-carbaldehyde
CID 15089323
5-methoxynaphthalene-1-sulfinic acid
CID 21331486
N-(diaminomethylidene)-1,4-dimethoxynaphthalene-2-carboxamide
CID 15940938
(NE)-N-[(3,4,5-trimethoxyphenyl)methylidene]benzenesulfinamide
CID 135035394
3-[(E)-2-(3,4-dimethoxy-5-methylsulfinylphenyl)ethenyl]-1H-pyridazin-6-one
CID 70437138
1-[(2-methylpropan-2-yl)oxy]-2-methylsulfinylbenzene
CID 15864724
6-methoxychrysene
CID 12935769

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethoxy-2-methylsulfinylnaphthalene?
The IUPAC name of 1,4-dimethoxy-2-methylsulfinylnaphthalene (CID 139590661) is 1,4-dimethoxy-2-methylsulfinylnaphthalene.
What is the SMILES notation for 1,4-dimethoxy-2-methylsulfinylnaphthalene?
The canonical SMILES for 1,4-dimethoxy-2-methylsulfinylnaphthalene is COc1cc(S(C)=O)c(OC)c2ccccc12.
What is the InChIKey of 1,4-dimethoxy-2-methylsulfinylnaphthalene?
The InChIKey is XSMOSYUKLPYTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O3S/c1-15-11-8-12(17(3)14)13(16-2)10-7-5-4-6-9(10)11/h4-8H,1-3H3.
What are the key properties of 1,4-dimethoxy-2-methylsulfinylnaphthalene?
1,4-dimethoxy-2-methylsulfinylnaphthalene has a molecular weight of 250.32 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethoxy-2-methylsulfinylnaphthalene is sourced from PubChem (CID 139590661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).