2,4-dimethyl-1-propoxybenzene;ethane;5-ethyl-1H-imidazole

C18H30N2O — CID 143737677

IUPAC2,4-dimethyl-1-propoxybenzene;ethane;5-ethyl-1H-imidazole
SMILESCC.CCCOc1ccc(C)cc1C.CCc1cnc[nH]1
InChIInChI=1S/C11H16O.C5H8N2.C2H6/c1-4-7-12-11-6-5-9(2)8-10(11)3;1-2-5-3-6-4-7-5;1-2/h5-6,8H,4,7H2,1-3H3;3-4H,2H2,1H3,(H,6,7);1-2H3
InChIKeyLODQXFGXDXTNHG-UHFFFAOYSA-N
MW290.45 g/mol
LogP5.09
Rot. Bonds4

About 2,4-dimethyl-1-propoxybenzene;ethane;5-ethyl-1H-imidazole

2,4-dimethyl-1-propoxybenzene;ethane;5-ethyl-1H-imidazole (PubChem CID 143737677) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2,4-dimethyl-1-propoxybenzene;ethane;5-ethyl-1H-imidazole.

Molecular Properties

Compound Name2,4-dimethyl-1-propoxybenzene;ethane;5-ethyl-1H-imidazole
PubChem CID143737677
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2,4-dimethyl-1-propoxybenzene;ethane;5-ethyl-1H-imidazole
SMILESCC.CCCOc1ccc(C)cc1C.CCc1cnc[nH]1
InChIInChI=1S/C11H16O.C5H8N2.C2H6/c1-4-7-12-11-6-5-9(2)8-10(11)3;1-2-5-3-6-4-7-5;1-2/h5-6,8H,4,7H2,1-3H3;3-4H,2H2,1H3,(H,6,7);1-2H3
InChIKeyLODQXFGXDXTNHG-UHFFFAOYSA-N
XLogP5.09
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.45
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-ethyl-1H-imidazole;4-methoxy-2-methyl-1-propoxybenzene
CID 143737660
1-(2-ethoxyethoxy)-2,4-dimethylbenzene
CID 60644510
ethane;5-(ethoxymethyl)-1H-imidazole
CID 176980020
5-[2-(4-methylphenoxy)ethyl]-1H-imidazole
CID 10536116
1-[2-(2-methoxyethoxy)ethoxy]-2,4-dimethylbenzene
CID 64764967
4-(2,4-dimethylphenoxy)-N,N-diethylbutan-1-amine
CID 2057942
propyl 2-(1H-imidazol-5-ylmethoxy)-4-methylbenzenesulfonate;2,2,2-trifluoroacetic acid
CID 175107701
2-bromo-4-methyl-1-propoxybenzene
CID 21057754
3-(2,4-dimethylphenoxy)propan-1-amine
CID 14025831
2-[2-(2,4-dimethylphenoxy)ethoxy]ethanamine
CID 28749670
ethane;1-fluoro-4-methyl-2-propoxybenzene
CID 162531945
3-(2,4-dimethylphenoxy)-N-ethylpropan-1-amine
CID 29015412

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-propoxybenzene;ethane;5-ethyl-1H-imidazole?
The IUPAC name of 2,4-dimethyl-1-propoxybenzene;ethane;5-ethyl-1H-imidazole (CID 143737677) is 2,4-dimethyl-1-propoxybenzene;ethane;5-ethyl-1H-imidazole.
What is the SMILES notation for 2,4-dimethyl-1-propoxybenzene;ethane;5-ethyl-1H-imidazole?
The canonical SMILES for 2,4-dimethyl-1-propoxybenzene;ethane;5-ethyl-1H-imidazole is CC.CCCOc1ccc(C)cc1C.CCc1cnc[nH]1.
What is the InChIKey of 2,4-dimethyl-1-propoxybenzene;ethane;5-ethyl-1H-imidazole?
The InChIKey is LODQXFGXDXTNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O.C5H8N2.C2H6/c1-4-7-12-11-6-5-9(2)8-10(11)3;1-2-5-3-6-4-7-5;1-2/h5-6,8H,4,7H2,1-3H3;3-4H,2H2,1H3,(H,6,7);1-2H3.
What are the key properties of 2,4-dimethyl-1-propoxybenzene;ethane;5-ethyl-1H-imidazole?
2,4-dimethyl-1-propoxybenzene;ethane;5-ethyl-1H-imidazole has a molecular weight of 290.45 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-propoxybenzene;ethane;5-ethyl-1H-imidazole is sourced from PubChem (CID 143737677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).