1,2-diethyl-3,4,5-trimethoxybenzene

C13H20O3 — CID 123966014

IUPAC1,2-diethyl-3,4,5-trimethoxybenzene
SMILESCCc1cc(OC)c(OC)c(OC)c1CC
InChIInChI=1S/C13H20O3/c1-6-9-8-11(14-3)13(16-5)12(15-4)10(9)7-2/h8H,6-7H2,1-5H3
InChIKeyMOIADVYWXHIKFB-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.84
Rot. Bonds5

About 1,2-diethyl-3,4,5-trimethoxybenzene

1,2-diethyl-3,4,5-trimethoxybenzene (PubChem CID 123966014) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1,2-diethyl-3,4,5-trimethoxybenzene.

Molecular Properties

Compound Name1,2-diethyl-3,4,5-trimethoxybenzene
PubChem CID123966014
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name1,2-diethyl-3,4,5-trimethoxybenzene
SMILESCCc1cc(OC)c(OC)c(OC)c1CC
InChIInChI=1S/C13H20O3/c1-6-9-8-11(14-3)13(16-5)12(15-4)10(9)7-2/h8H,6-7H2,1-5H3
InChIKeyMOIADVYWXHIKFB-UHFFFAOYSA-N
XLogP2.84
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(hydroxymethyl)-3,4,5-trimethoxyphenyl]methanol
CID 71399833
(3-chloro-2-ethyl-4,5-dimethoxyphenyl)methanesulfonyl chloride
CID 117498210
2-(2-ethyl-3,4-dimethoxyphenyl)acetonitrile
CID 14346520
(2-bromo-3-ethyl-5,6-dimethoxyphenyl)methanol
CID 84714156
1,4-diethyl-2-methoxynaphthalene
CID 135177818
2-bromo-6-ethyl-3,4-dimethoxyphenol
CID 84710445
2-(3-chloro-2-ethyl-4,5-dimethoxyphenyl)ethanol
CID 117363854
1,2,3-trimethoxy-5-(methoxymethyl)-4-(methylsulfonylmethyl)benzene
CID 14261269
6-ethyl-5,8-dimethoxy-2,3-dihydro-1,4-benzodioxine
CID 130420635
N-[(3-bromo-2-ethyl-4,5-dimethoxyphenyl)methyl]hydroxylamine
CID 117468655
3-ethyl-4,5-dimethoxybenzaldehyde
CID 88965998
1-ethyl-2,3-dimethoxy-5-propan-2-ylbenzene
CID 144562755

Frequently Asked Questions

What is the IUPAC name of 1,2-diethyl-3,4,5-trimethoxybenzene?
The IUPAC name of 1,2-diethyl-3,4,5-trimethoxybenzene (CID 123966014) is 1,2-diethyl-3,4,5-trimethoxybenzene.
What is the SMILES notation for 1,2-diethyl-3,4,5-trimethoxybenzene?
The canonical SMILES for 1,2-diethyl-3,4,5-trimethoxybenzene is CCc1cc(OC)c(OC)c(OC)c1CC.
What is the InChIKey of 1,2-diethyl-3,4,5-trimethoxybenzene?
The InChIKey is MOIADVYWXHIKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-6-9-8-11(14-3)13(16-5)12(15-4)10(9)7-2/h8H,6-7H2,1-5H3.
What are the key properties of 1,2-diethyl-3,4,5-trimethoxybenzene?
1,2-diethyl-3,4,5-trimethoxybenzene has a molecular weight of 224.30 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethyl-3,4,5-trimethoxybenzene is sourced from PubChem (CID 123966014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).