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

C18H22O4 — CID 54567492

IUPAC1-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dimethoxybenzene
SMILESCOc1ccc(CCc2ccc(OC)c(OC)c2)c(OC)c1
InChIInChI=1S/C18H22O4/c1-19-15-9-8-14(17(12-15)21-3)7-5-13-6-10-16(20-2)18(11-13)22-4/h6,8-12H,5,7H2,1-4H3
InChIKeyGKGWXIVLTBNVKA-UHFFFAOYSA-N
MW302.37 g/mol
LogP3.51
Rot. Bonds7

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

1-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dimethoxybenzene (PubChem CID 54567492) has the molecular formula C18H22O4 and a molecular weight of 302.37 g/mol. Its IUPAC name is 1-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dimethoxybenzene.

Molecular Properties

Compound Name1-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dimethoxybenzene
PubChem CID54567492
Molecular FormulaC18H22O4
Molecular Weight302.37 g/mol
Exact Mass302.15
IUPAC Name1-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dimethoxybenzene
SMILESCOc1ccc(CCc2ccc(OC)c(OC)c2)c(OC)c1
InChIInChI=1S/C18H22O4/c1-19-15-9-8-14(17(12-15)21-3)7-5-13-6-10-16(20-2)18(11-13)22-4/h6,8-12H,5,7H2,1-4H3
InChIKeyGKGWXIVLTBNVKA-UHFFFAOYSA-N
XLogP3.51
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,2-dimethoxy-4-[2-[2-[2-(4-methoxyphenyl)ethyl]phenyl]ethyl]benzene
CID 170457351
4-[2-(2,4-dimethoxyphenyl)ethyl]aniline
CID 14256033
2-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxyquinoline
CID 16638258
1-[5-[2-(3,5-dimethoxyphenyl)ethyl]-2-methoxyphenoxy]-2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]benzene
CID 172871343
2-(2,4-dimethoxyphenyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 9427593
1,2-dimethoxy-4-[2-[4-methoxy-3-[3-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene
CID 172870751
4-[2-(3,4-dimethoxyphenyl)ethyl]benzene-1,3-diol
CID 146465876
1,2-dimethoxy-4-[2-[3-[2-methoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene
CID 172870898
1-[4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]phenyl]-4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]benzene
CID 172870969
2,4-dimethoxy-1-[3-[4-methoxy-2-[(4-methoxyphenyl)methoxy]phenyl]propyl]benzene
CID 139826649
1,2-dimethoxy-4-[2-[3-[3-[2-(4-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene
CID 172871209
3-(2,4-dimethoxyphenyl)propane-1-thiol
CID 94681824

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dimethoxybenzene?
The IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dimethoxybenzene (CID 54567492) is 1-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dimethoxybenzene.
What is the SMILES notation for 1-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dimethoxybenzene?
The canonical SMILES for 1-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dimethoxybenzene is COc1ccc(CCc2ccc(OC)c(OC)c2)c(OC)c1.
What is the InChIKey of 1-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dimethoxybenzene?
The InChIKey is GKGWXIVLTBNVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O4/c1-19-15-9-8-14(17(12-15)21-3)7-5-13-6-10-16(20-2)18(11-13)22-4/h6,8-12H,5,7H2,1-4H3.
What are the key properties of 1-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dimethoxybenzene?
1-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dimethoxybenzene has a molecular weight of 302.37 g/mol, XLogP of 3.51, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dimethoxybenzene is sourced from PubChem (CID 54567492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).