1,2-diethyl-4-methylbenzene;methane

C12H20 — CID 174446118

IUPAC1,2-diethyl-4-methylbenzene;methane
SMILESC.CCc1ccc(C)cc1CC
InChIInChI=1S/C11H16.CH4/c1-4-10-7-6-9(3)8-11(10)5-2;/h6-8H,4-5H2,1-3H3;1H4
InChIKeyAWWYZTIDMMHOIJ-UHFFFAOYSA-N
MW164.29 g/mol
LogP3.76
Rot. Bonds2

About 1,2-diethyl-4-methylbenzene;methane

1,2-diethyl-4-methylbenzene;methane (PubChem CID 174446118) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 1,2-diethyl-4-methylbenzene;methane.

Molecular Properties

Compound Name1,2-diethyl-4-methylbenzene;methane
PubChem CID174446118
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name1,2-diethyl-4-methylbenzene;methane
SMILESC.CCc1ccc(C)cc1CC
InChIInChI=1S/C11H16.CH4/c1-4-10-7-6-9(3)8-11(10)5-2;/h6-8H,4-5H2,1-3H3;1H4
InChIKeyAWWYZTIDMMHOIJ-UHFFFAOYSA-N
XLogP3.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-ethyl-1-(iodomethyl)-4-methylbenzene
CID 91883824
1,2-diethyl-4-methylbenzene;N-methylethanamine
CID 164855873
2-(2-ethyl-4-methylphenyl)acetaldehyde
CID 88578467
1-ethyl-2,4-dimethylbenzene;propane
CID 143347602
2-ethyl-1-hexyl-4-methylbenzene
CID 155704456
2-(2-ethyl-4-methylphenyl)-N-methylethanamine
CID 142812232
2-ethyl-5-methylbenzenethiol
CID 91873863
1,2-diethyl-4-methylbenzene;ethane;methyl(prop-1-en-2-yl)phosphane
CID 143738826
2-(2-ethyl-5-methylphenyl)acetaldehyde;hydrofluoride
CID 167684728
3-(2-ethyl-5-methylphenyl)propan-1-amine
CID 117277653
1-(2-ethyl-5-methylphenyl)propan-2-ol
CID 117277868
ethene;1-ethyl-2-(methoxymethyl)-4-methylbenzene
CID 143093796

Frequently Asked Questions

What is the IUPAC name of 1,2-diethyl-4-methylbenzene;methane?
The IUPAC name of 1,2-diethyl-4-methylbenzene;methane (CID 174446118) is 1,2-diethyl-4-methylbenzene;methane.
What is the SMILES notation for 1,2-diethyl-4-methylbenzene;methane?
The canonical SMILES for 1,2-diethyl-4-methylbenzene;methane is C.CCc1ccc(C)cc1CC.
What is the InChIKey of 1,2-diethyl-4-methylbenzene;methane?
The InChIKey is AWWYZTIDMMHOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16.CH4/c1-4-10-7-6-9(3)8-11(10)5-2;/h6-8H,4-5H2,1-3H3;1H4.
What are the key properties of 1,2-diethyl-4-methylbenzene;methane?
1,2-diethyl-4-methylbenzene;methane has a molecular weight of 164.29 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethyl-4-methylbenzene;methane is sourced from PubChem (CID 174446118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).