4-[4-(3,4-dimethoxyphenyl)-1-methoxybutyl]-1,2-dimethoxybenzene

C21H28O5 — CID 54375064

IUPAC4-[4-(3,4-dimethoxyphenyl)-1-methoxybutyl]-1,2-dimethoxybenzene
SMILESCOc1ccc(CCCC(OC)c2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C21H28O5/c1-22-17(16-10-12-19(24-3)21(14-16)26-5)8-6-7-15-9-11-18(23-2)20(13-15)25-4/h9-14,17H,6-8H2,1-5H3
InChIKeyUVXJAUBNQDPBTK-UHFFFAOYSA-N
MW360.45 g/mol
LogP4.43
Rot. Bonds10

About 4-[4-(3,4-dimethoxyphenyl)-1-methoxybutyl]-1,2-dimethoxybenzene

4-[4-(3,4-dimethoxyphenyl)-1-methoxybutyl]-1,2-dimethoxybenzene (PubChem CID 54375064) has the molecular formula C21H28O5 and a molecular weight of 360.45 g/mol. Its IUPAC name is 4-[4-(3,4-dimethoxyphenyl)-1-methoxybutyl]-1,2-dimethoxybenzene.

Molecular Properties

Compound Name4-[4-(3,4-dimethoxyphenyl)-1-methoxybutyl]-1,2-dimethoxybenzene
PubChem CID54375064
Molecular FormulaC21H28O5
Molecular Weight360.45 g/mol
Exact Mass360.19
IUPAC Name4-[4-(3,4-dimethoxyphenyl)-1-methoxybutyl]-1,2-dimethoxybenzene
SMILESCOc1ccc(CCCC(OC)c2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C21H28O5/c1-22-17(16-10-12-19(24-3)21(14-16)26-5)8-6-7-15-9-11-18(23-2)20(13-15)25-4/h9-14,17H,6-8H2,1-5H3
InChIKeyUVXJAUBNQDPBTK-UHFFFAOYSA-N
XLogP4.43
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-4-(3,4-dimethoxyphenyl)-1-phenylbutan-1-amine
CID 174421417
4-(1,2-dimethoxyethyl)-1,2-dimethoxybenzene
CID 6424872
3-(3,4-dimethoxyphenyl)propan-1-amine
CID 2281053
3-(3,4-dimethoxyphenyl)propyl-triphenylphosphanium iodide
CID 10940771
1-(3,4-dimethoxyphenyl)-4-phenylbutan-1-amine
CID 62606434
2-amino-5-(3,4-dimethoxyphenyl)pentanoic acid
CID 115005508
2-(3,4-dimethoxyphenyl)ethyl-(2-methoxy-2-phenylethyl)azanium chloride
CID 110176932
2-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)-2-methoxyethyl]acetamide
CID 70589342
4-(4-iodobutyl)-1,2-dimethoxybenzene
CID 86035361
1,2-dimethoxy-4-(4-methoxybutyl)benzene
CID 70361362
4-(3-hydroperoxypropyl)-1,2-dimethoxybenzene
CID 166514951
1-(3,4-dimethoxyphenyl)hexane-3,4-diol
CID 83928894

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,4-dimethoxyphenyl)-1-methoxybutyl]-1,2-dimethoxybenzene?
The IUPAC name of 4-[4-(3,4-dimethoxyphenyl)-1-methoxybutyl]-1,2-dimethoxybenzene (CID 54375064) is 4-[4-(3,4-dimethoxyphenyl)-1-methoxybutyl]-1,2-dimethoxybenzene.
What is the SMILES notation for 4-[4-(3,4-dimethoxyphenyl)-1-methoxybutyl]-1,2-dimethoxybenzene?
The canonical SMILES for 4-[4-(3,4-dimethoxyphenyl)-1-methoxybutyl]-1,2-dimethoxybenzene is COc1ccc(CCCC(OC)c2ccc(OC)c(OC)c2)cc1OC.
What is the InChIKey of 4-[4-(3,4-dimethoxyphenyl)-1-methoxybutyl]-1,2-dimethoxybenzene?
The InChIKey is UVXJAUBNQDPBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28O5/c1-22-17(16-10-12-19(24-3)21(14-16)26-5)8-6-7-15-9-11-18(23-2)20(13-15)25-4/h9-14,17H,6-8H2,1-5H3.
What are the key properties of 4-[4-(3,4-dimethoxyphenyl)-1-methoxybutyl]-1,2-dimethoxybenzene?
4-[4-(3,4-dimethoxyphenyl)-1-methoxybutyl]-1,2-dimethoxybenzene has a molecular weight of 360.45 g/mol, XLogP of 4.43, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,4-dimethoxyphenyl)-1-methoxybutyl]-1,2-dimethoxybenzene is sourced from PubChem (CID 54375064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).