2-[2-(4-butan-2-ylsulfonylphenoxy)ethoxy]-3,4-dimethoxy-1,5-bis(methoxymethyl)benzene

C24H34O8S — CID 176800613

IUPAC2-[2-(4-butan-2-ylsulfonylphenoxy)ethoxy]-3,4-dimethoxy-1,5-bis(methoxymethyl)benzene
SMILESCCC(C)S(=O)(=O)c1ccc(OCCOc2c(COC)cc(COC)c(OC)c2OC)cc1
InChIInChI=1S/C24H34O8S/c1-7-17(2)33(25,26)21-10-8-20(9-11-21)31-12-13-32-23-19(16-28-4)14-18(15-27-3)22(29-5)24(23)30-6/h8-11,14,17H,7,12-13,15-16H2,1-6H3
InChIKeyMYANKJWOAUKGEB-UHFFFAOYSA-N
MW482.60 g/mol
LogP4.03
Rot. Bonds14

About 2-[2-(4-butan-2-ylsulfonylphenoxy)ethoxy]-3,4-dimethoxy-1,5-bis(methoxymethyl)benzene

2-[2-(4-butan-2-ylsulfonylphenoxy)ethoxy]-3,4-dimethoxy-1,5-bis(methoxymethyl)benzene (PubChem CID 176800613) has the molecular formula C24H34O8S and a molecular weight of 482.60 g/mol. Its IUPAC name is 2-[2-(4-butan-2-ylsulfonylphenoxy)ethoxy]-3,4-dimethoxy-1,5-bis(methoxymethyl)benzene.

Molecular Properties

Compound Name2-[2-(4-butan-2-ylsulfonylphenoxy)ethoxy]-3,4-dimethoxy-1,5-bis(methoxymethyl)benzene
PubChem CID176800613
Molecular FormulaC24H34O8S
Molecular Weight482.60 g/mol
Exact Mass482.20
IUPAC Name2-[2-(4-butan-2-ylsulfonylphenoxy)ethoxy]-3,4-dimethoxy-1,5-bis(methoxymethyl)benzene
SMILESCCC(C)S(=O)(=O)c1ccc(OCCOc2c(COC)cc(COC)c(OC)c2OC)cc1
InChIInChI=1S/C24H34O8S/c1-7-17(2)33(25,26)21-10-8-20(9-11-21)31-12-13-32-23-19(16-28-4)14-18(15-27-3)22(29-5)24(23)30-6/h8-11,14,17H,7,12-13,15-16H2,1-6H3
InChIKeyMYANKJWOAUKGEB-UHFFFAOYSA-N
XLogP4.03
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.60
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-butan-2-ylsulfonylphenoxy)propyl]-N-butylbutan-1-amine
CID 70043817
3-butan-2-ylphenol;4-butan-2-ylphenol;2-[2-(4-butan-2-ylphenoxy)ethoxy]-1,3-bis(methoxymethyl)-5-methylbenzene
CID 159281825
4-butan-2-ylsulfonyl-1-fluoro-2-methoxybenzene
CID 154972460
4-[2-(4-hydroxy-2,6-diiodophenoxy)ethoxy]benzenesulfonate
CID 170531401
2,6-bis(cyclohexyloxymethyl)-4-[[4-(2-fluorobutan-2-yl)phenoxy]methyl]phenol;2-(2-butan-2-ylsulfanylethoxy)-1,3-bis(methoxymethyl)-5-methylbenzene;2-[2-(4-butan-2-ylsulfonylphenoxy)ethoxy]-4-methoxy-1,3,5-tris(methoxymethyl)benzene;2-[4-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]-2,6-bis(methoxymethyl)phenoxy]ethyl 4-butan-2-ylbenzoate
CID 158114584
2-butan-2-ylsulfonyl-4-methoxyaniline
CID 81207556
(1S)-1-(4-methoxyphenyl)sulfonylethanol
CID 95474142
4-(2-methoxyethoxy)benzenesulfonyl fluoride
CID 98661024
1-(4-methoxyphenyl)sulfonylethanamine
CID 117036167
1-[1-(4-methoxyphenyl)sulfonylpropyl]-4-phenylmethoxybenzene
CID 57294942
4-(2-methoxyethoxy)-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 62664978
methyl 2-[[4-(2-methoxyethoxy)phenyl]sulfonylamino]butanoate
CID 71858268

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-butan-2-ylsulfonylphenoxy)ethoxy]-3,4-dimethoxy-1,5-bis(methoxymethyl)benzene?
The IUPAC name of 2-[2-(4-butan-2-ylsulfonylphenoxy)ethoxy]-3,4-dimethoxy-1,5-bis(methoxymethyl)benzene (CID 176800613) is 2-[2-(4-butan-2-ylsulfonylphenoxy)ethoxy]-3,4-dimethoxy-1,5-bis(methoxymethyl)benzene.
What is the SMILES notation for 2-[2-(4-butan-2-ylsulfonylphenoxy)ethoxy]-3,4-dimethoxy-1,5-bis(methoxymethyl)benzene?
The canonical SMILES for 2-[2-(4-butan-2-ylsulfonylphenoxy)ethoxy]-3,4-dimethoxy-1,5-bis(methoxymethyl)benzene is CCC(C)S(=O)(=O)c1ccc(OCCOc2c(COC)cc(COC)c(OC)c2OC)cc1.
What is the InChIKey of 2-[2-(4-butan-2-ylsulfonylphenoxy)ethoxy]-3,4-dimethoxy-1,5-bis(methoxymethyl)benzene?
The InChIKey is MYANKJWOAUKGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O8S/c1-7-17(2)33(25,26)21-10-8-20(9-11-21)31-12-13-32-23-19(16-28-4)14-18(15-27-3)22(29-5)24(23)30-6/h8-11,14,17H,7,12-13,15-16H2,1-6H3.
What are the key properties of 2-[2-(4-butan-2-ylsulfonylphenoxy)ethoxy]-3,4-dimethoxy-1,5-bis(methoxymethyl)benzene?
2-[2-(4-butan-2-ylsulfonylphenoxy)ethoxy]-3,4-dimethoxy-1,5-bis(methoxymethyl)benzene has a molecular weight of 482.60 g/mol, XLogP of 4.03, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-butan-2-ylsulfonylphenoxy)ethoxy]-3,4-dimethoxy-1,5-bis(methoxymethyl)benzene is sourced from PubChem (CID 176800613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).