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

C11H16O2 — CID 54293104

IUPAC1-ethyl-3,4-dimethoxy-2-methylbenzene
SMILESCCc1ccc(OC)c(OC)c1C
InChIInChI=1S/C11H16O2/c1-5-9-6-7-10(12-3)11(13-4)8(9)2/h6-7H,5H2,1-4H3
InChIKeyGMOATYJGDLYDSB-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.57
Rot. Bonds3

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

1-ethyl-3,4-dimethoxy-2-methylbenzene (PubChem CID 54293104) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-ethyl-3,4-dimethoxy-2-methylbenzene.

Molecular Properties

Compound Name1-ethyl-3,4-dimethoxy-2-methylbenzene
PubChem CID54293104
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name1-ethyl-3,4-dimethoxy-2-methylbenzene
SMILESCCc1ccc(OC)c(OC)c1C
InChIInChI=1S/C11H16O2/c1-5-9-6-7-10(12-3)11(13-4)8(9)2/h6-7H,5H2,1-4H3
InChIKeyGMOATYJGDLYDSB-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-2,4-dimethoxy-3-methylbenzene
CID 524865
3-(3,4-dimethoxy-2-methylphenyl)propanal
CID 117297630
1-(3,4-dimethoxy-2-methylphenyl)-2-methylpropan-2-amine
CID 117320489
methyl 4-(3,4-dimethoxy-2-methylphenyl)butanoate
CID 15428438
1-(6-ethyl-2,3-dimethoxyphenyl)-N-methoxymethanamine
CID 117323985
1-ethyl-2-isothiocyanato-3,4-dimethoxybenzene
CID 142641031
ethyl 3,4-dimethoxy-2-methylbenzoate
CID 23043983
1-ethyl-4-(2-methoxyethoxy)-2,3-dimethylbenzene
CID 143169475
N-ethyl-3,4-dimethoxy-2-methylaniline
CID 143026741
tert-butyl N-[2-(3,4-dimethoxy-2-methylphenyl)ethyl]carbamate
CID 142979716
1-ethyl-3-hydroxysulfanyl-2,4-dimethoxybenzene
CID 146288940
2-(6-ethyl-2,3-dimethoxyphenyl)-2-hydroxyacetic acid
CID 117352963

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,4-dimethoxy-2-methylbenzene?
The IUPAC name of 1-ethyl-3,4-dimethoxy-2-methylbenzene (CID 54293104) is 1-ethyl-3,4-dimethoxy-2-methylbenzene.
What is the SMILES notation for 1-ethyl-3,4-dimethoxy-2-methylbenzene?
The canonical SMILES for 1-ethyl-3,4-dimethoxy-2-methylbenzene is CCc1ccc(OC)c(OC)c1C.
What is the InChIKey of 1-ethyl-3,4-dimethoxy-2-methylbenzene?
The InChIKey is GMOATYJGDLYDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-5-9-6-7-10(12-3)11(13-4)8(9)2/h6-7H,5H2,1-4H3.
What are the key properties of 1-ethyl-3,4-dimethoxy-2-methylbenzene?
1-ethyl-3,4-dimethoxy-2-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-3,4-dimethoxy-2-methylbenzene is sourced from PubChem (CID 54293104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).