1-[2-(3,5-dimethoxyphenyl)ethyl]-3,5-dimethoxybenzene

C18H22O4 — CID 4670736

IUPAC1-[2-(3,5-dimethoxyphenyl)ethyl]-3,5-dimethoxybenzene
SMILESCOc1cc(CCc2cc(OC)cc(OC)c2)cc(OC)c1
InChIInChI=1S/C18H22O4/c1-19-15-7-13(8-16(11-15)20-2)5-6-14-9-17(21-3)12-18(10-14)22-4/h7-12H,5-6H2,1-4H3
InChIKeyJMNPTZPSNHUERJ-UHFFFAOYSA-N
MW302.37 g/mol
LogP3.51
Rot. Bonds7

About 1-[2-(3,5-dimethoxyphenyl)ethyl]-3,5-dimethoxybenzene

1-[2-(3,5-dimethoxyphenyl)ethyl]-3,5-dimethoxybenzene (PubChem CID 4670736) has the molecular formula C18H22O4 and a molecular weight of 302.37 g/mol. Its IUPAC name is 1-[2-(3,5-dimethoxyphenyl)ethyl]-3,5-dimethoxybenzene.

Molecular Properties

Compound Name1-[2-(3,5-dimethoxyphenyl)ethyl]-3,5-dimethoxybenzene
PubChem CID4670736
Molecular FormulaC18H22O4
Molecular Weight302.37 g/mol
Exact Mass302.15
IUPAC Name1-[2-(3,5-dimethoxyphenyl)ethyl]-3,5-dimethoxybenzene
SMILESCOc1cc(CCc2cc(OC)cc(OC)c2)cc(OC)c1
InChIInChI=1S/C18H22O4/c1-19-15-7-13(8-16(11-15)20-2)5-6-14-9-17(21-3)12-18(10-14)22-4/h7-12H,5-6H2,1-4H3
InChIKeyJMNPTZPSNHUERJ-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-bromoethyl)-3,5-dimethoxybenzene
CID 12560827
sodium 2-(3,5-dimethoxyphenyl)ethanolate
CID 175142417
2-(3,5-dimethoxyphenyl)ethyl-trimethoxysilane
CID 59566880
1-butyl-3,5-dimethoxybenzene
CID 524875
1-methoxy-3-[2-(4-methoxyphenyl)ethyl]-5-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]benzene
CID 172871171
1,3-dimethoxy-5-(2-nitrosoethyl)benzene
CID 132967337
phosphane;1,3,5-trimethoxybenzene
CID 175232895
5-[2-(3,5-dimethoxyphenyl)ethyl]-2,3-dimethoxyphenol
CID 171933718
2-[2-(3,5-dimethoxyphenyl)ethyl]-5-[4-[2-(3,5-dimethoxyphenyl)ethyl]-2,5-dihydroxyphenyl]benzene-1,4-diol
CID 172870651
1,3-dimethoxy-5-(5,5,5-trideuteriopentyl)benzene
CID 11769782
N-[2-(3,5-dimethoxyphenyl)ethyl]propan-1-amine
CID 64865776
3-(3,5-dimethoxyphenyl)prop-1-en-2-ol;ethane
CID 144585769

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethoxyphenyl)ethyl]-3,5-dimethoxybenzene?
The IUPAC name of 1-[2-(3,5-dimethoxyphenyl)ethyl]-3,5-dimethoxybenzene (CID 4670736) is 1-[2-(3,5-dimethoxyphenyl)ethyl]-3,5-dimethoxybenzene.
What is the SMILES notation for 1-[2-(3,5-dimethoxyphenyl)ethyl]-3,5-dimethoxybenzene?
The canonical SMILES for 1-[2-(3,5-dimethoxyphenyl)ethyl]-3,5-dimethoxybenzene is COc1cc(CCc2cc(OC)cc(OC)c2)cc(OC)c1.
What is the InChIKey of 1-[2-(3,5-dimethoxyphenyl)ethyl]-3,5-dimethoxybenzene?
The InChIKey is JMNPTZPSNHUERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O4/c1-19-15-7-13(8-16(11-15)20-2)5-6-14-9-17(21-3)12-18(10-14)22-4/h7-12H,5-6H2,1-4H3.
What are the key properties of 1-[2-(3,5-dimethoxyphenyl)ethyl]-3,5-dimethoxybenzene?
1-[2-(3,5-dimethoxyphenyl)ethyl]-3,5-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-(3,5-dimethoxyphenyl)ethyl]-3,5-dimethoxybenzene is sourced from PubChem (CID 4670736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).