5-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,3-trimethoxybenzene

C19H24O5 — CID 3086528

IUPAC5-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,3-trimethoxybenzene
SMILESCOc1ccc(CCc2cc(OC)c(OC)c(OC)c2)cc1OC
InChIInChI=1S/C19H24O5/c1-20-15-9-8-13(10-16(15)21-2)6-7-14-11-17(22-3)19(24-5)18(12-14)23-4/h8-12H,6-7H2,1-5H3
InChIKeyXKKZNLRWNSUNBW-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.51
Rot. Bonds8

About 5-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,3-trimethoxybenzene

5-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,3-trimethoxybenzene (PubChem CID 3086528) has the molecular formula C19H24O5 and a molecular weight of 332.40 g/mol. Its IUPAC name is 5-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,3-trimethoxybenzene.

Molecular Properties

Compound Name5-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,3-trimethoxybenzene
PubChem CID3086528
Molecular FormulaC19H24O5
Molecular Weight332.40 g/mol
Exact Mass332.16
IUPAC Name5-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,3-trimethoxybenzene
SMILESCOc1ccc(CCc2cc(OC)c(OC)c(OC)c2)cc1OC
InChIInChI=1S/C19H24O5/c1-20-15-9-8-13(10-16(15)21-2)6-7-14-11-17(22-3)19(24-5)18(12-14)23-4/h8-12H,6-7H2,1-5H3
InChIKeyXKKZNLRWNSUNBW-UHFFFAOYSA-N
XLogP3.51
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,3-trimethoxybenzene?
The IUPAC name of 5-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,3-trimethoxybenzene (CID 3086528) is 5-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,3-trimethoxybenzene.
What is the SMILES notation for 5-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,3-trimethoxybenzene?
The canonical SMILES for 5-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,3-trimethoxybenzene is COc1ccc(CCc2cc(OC)c(OC)c(OC)c2)cc1OC.
What is the InChIKey of 5-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,3-trimethoxybenzene?
The InChIKey is XKKZNLRWNSUNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O5/c1-20-15-9-8-13(10-16(15)21-2)6-7-14-11-17(22-3)19(24-5)18(12-14)23-4/h8-12H,6-7H2,1-5H3.
What are the key properties of 5-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,3-trimethoxybenzene?
5-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,3-trimethoxybenzene has a molecular weight of 332.40 g/mol, XLogP of 3.51, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,3-trimethoxybenzene is sourced from PubChem (CID 3086528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).