1-[1,2-dimethoxy-2-(4-methoxyphenyl)ethyl]-4-methoxybenzene

C18H22O4 — CID 591942

IUPAC1-[1,2-dimethoxy-2-(4-methoxyphenyl)ethyl]-4-methoxybenzene
SMILESCOc1ccc(C(OC)C(OC)c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H22O4/c1-19-15-9-5-13(6-10-15)17(21-3)18(22-4)14-7-11-16(20-2)12-8-14/h5-12,17-18H,1-4H3
InChIKeySXNZJKFKWMTZGG-UHFFFAOYSA-N
MW302.37 g/mol
LogP3.78
Rot. Bonds7

About 1-[1,2-dimethoxy-2-(4-methoxyphenyl)ethyl]-4-methoxybenzene

1-[1,2-dimethoxy-2-(4-methoxyphenyl)ethyl]-4-methoxybenzene (PubChem CID 591942) has the molecular formula C18H22O4 and a molecular weight of 302.37 g/mol. Its IUPAC name is 1-[1,2-dimethoxy-2-(4-methoxyphenyl)ethyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[1,2-dimethoxy-2-(4-methoxyphenyl)ethyl]-4-methoxybenzene
PubChem CID591942
Molecular FormulaC18H22O4
Molecular Weight302.37 g/mol
Exact Mass302.15
IUPAC Name1-[1,2-dimethoxy-2-(4-methoxyphenyl)ethyl]-4-methoxybenzene
SMILESCOc1ccc(C(OC)C(OC)c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H22O4/c1-19-15-9-5-13(6-10-15)17(21-3)18(22-4)14-7-11-16(20-2)12-8-14/h5-12,17-18H,1-4H3
InChIKeySXNZJKFKWMTZGG-UHFFFAOYSA-N
XLogP3.78
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 ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Bisphenol A diglycidyl ether
CID 2286
Chlorotrianisene
CID 11289
Terameprocol
CID 476861
4-Propylanisole
CID 7702
4-Nonylphenol diethoxylate
CID 24773
Bisphenol F diglycidyl ether
CID 91511
4-Methoxybiphenyl
CID 11943
Trismethoxyresveratrol
CID 5388063
Dihydrogalangal acetate
CID 14638401
2,3',4,5'-Tetramethoxystilbene
CID 5354004
Bisphenol A bis(2-hydroxypropyl) ether
CID 8306
2-(p-Nonylphenoxy)ethanol
CID 7700

Frequently Asked Questions

What is the IUPAC name of 1-[1,2-dimethoxy-2-(4-methoxyphenyl)ethyl]-4-methoxybenzene?
The IUPAC name of 1-[1,2-dimethoxy-2-(4-methoxyphenyl)ethyl]-4-methoxybenzene (CID 591942) is 1-[1,2-dimethoxy-2-(4-methoxyphenyl)ethyl]-4-methoxybenzene.
What is the SMILES notation for 1-[1,2-dimethoxy-2-(4-methoxyphenyl)ethyl]-4-methoxybenzene?
The canonical SMILES for 1-[1,2-dimethoxy-2-(4-methoxyphenyl)ethyl]-4-methoxybenzene is COc1ccc(C(OC)C(OC)c2ccc(OC)cc2)cc1.
What is the InChIKey of 1-[1,2-dimethoxy-2-(4-methoxyphenyl)ethyl]-4-methoxybenzene?
The InChIKey is SXNZJKFKWMTZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O4/c1-19-15-9-5-13(6-10-15)17(21-3)18(22-4)14-7-11-16(20-2)12-8-14/h5-12,17-18H,1-4H3.
What are the key properties of 1-[1,2-dimethoxy-2-(4-methoxyphenyl)ethyl]-4-methoxybenzene?
1-[1,2-dimethoxy-2-(4-methoxyphenyl)ethyl]-4-methoxybenzene has a molecular weight of 302.37 g/mol, XLogP of 3.78, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,2-dimethoxy-2-(4-methoxyphenyl)ethyl]-4-methoxybenzene is sourced from PubChem (CID 591942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).