1-ethyl-2,4-dimethoxy-3-methylbenzene

C11H16O2 — CID 524865

IUPAC1-ethyl-2,4-dimethoxy-3-methylbenzene
SMILESCCc1ccc(OC)c(C)c1OC
InChIInChI=1S/C11H16O2/c1-5-9-6-7-10(12-3)8(2)11(9)13-4/h6-7H,5H2,1-4H3
InChIKeyHGZINGCXEMEYCQ-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.57
Rot. Bonds3

About 1-ethyl-2,4-dimethoxy-3-methylbenzene

1-ethyl-2,4-dimethoxy-3-methylbenzene (PubChem CID 524865) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-ethyl-2,4-dimethoxy-3-methylbenzene.

Molecular Properties

Compound Name1-ethyl-2,4-dimethoxy-3-methylbenzene
PubChem CID524865
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name1-ethyl-2,4-dimethoxy-3-methylbenzene
SMILESCCc1ccc(OC)c(C)c1OC
InChIInChI=1S/C11H16O2/c1-5-9-6-7-10(12-3)8(2)11(9)13-4/h6-7H,5H2,1-4H3
InChIKeyHGZINGCXEMEYCQ-UHFFFAOYSA-N
XLogP2.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-3,4-dimethoxy-2-methylbenzene
CID 54293104
2-(2,4-dimethoxy-3-methylphenyl)-N'-methylacetohydrazide
CID 116846220
N'-[(2,4-dimethoxy-3-methylphenyl)methyl]-N-methylmethanediamine
CID 115226861
N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]propane-1-sulfonamide
CID 110789714
N-[(2,4-dimethoxy-3-methylphenyl)methyl]-N-methylcarbamoyl chloride
CID 115194800
1-[(2,4-dimethoxy-3-methylphenyl)methylamino]propan-2-one
CID 115234740
2-[(2,4-dimethoxy-3-methylphenyl)methylamino]acetonitrile
CID 115131002
1-ethyl-3-hydroxysulfanyl-2,4-dimethoxybenzene
CID 146288940
3-(2,4-dimethoxy-3-methylphenyl)-2-(methylamino)propanoic acid
CID 116932022
2-(2,4-dimethoxy-3-methylphenyl)-N-ethyl-N-phenylacetamide
CID 110769844
1-N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]-2-methylpropane-1,2-diamine
CID 115136159
4-[(2,4-dimethoxy-3-methylphenyl)methyl]thiomorpholine
CID 754053

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,4-dimethoxy-3-methylbenzene?
The IUPAC name of 1-ethyl-2,4-dimethoxy-3-methylbenzene (CID 524865) is 1-ethyl-2,4-dimethoxy-3-methylbenzene.
What is the SMILES notation for 1-ethyl-2,4-dimethoxy-3-methylbenzene?
The canonical SMILES for 1-ethyl-2,4-dimethoxy-3-methylbenzene is CCc1ccc(OC)c(C)c1OC.
What is the InChIKey of 1-ethyl-2,4-dimethoxy-3-methylbenzene?
The InChIKey is HGZINGCXEMEYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-5-9-6-7-10(12-3)8(2)11(9)13-4/h6-7H,5H2,1-4H3.
What are the key properties of 1-ethyl-2,4-dimethoxy-3-methylbenzene?
1-ethyl-2,4-dimethoxy-3-methylbenzene has a molecular weight of 180.25 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,4-dimethoxy-3-methylbenzene is sourced from PubChem (CID 524865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).