1,2-diethyl-3,4-dimethylbenzene

C12H18 — CID 590292

IUPAC1,2-diethyl-3,4-dimethylbenzene
SMILESCCc1ccc(C)c(C)c1CC
InChIInChI=1S/C12H18/c1-5-11-8-7-9(3)10(4)12(11)6-2/h7-8H,5-6H2,1-4H3
InChIKeyFAWZMJHFENIDPI-UHFFFAOYSA-N
MW162.28 g/mol
LogP3.43
Rot. Bonds2

About 1,2-diethyl-3,4-dimethylbenzene

1,2-diethyl-3,4-dimethylbenzene (PubChem CID 590292) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is 1,2-diethyl-3,4-dimethylbenzene.

Molecular Properties

Compound Name1,2-diethyl-3,4-dimethylbenzene
PubChem CID590292
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name1,2-diethyl-3,4-dimethylbenzene
SMILESCCc1ccc(C)c(C)c1CC
InChIInChI=1S/C12H18/c1-5-11-8-7-9(3)10(4)12(11)6-2/h7-8H,5-6H2,1-4H3
InChIKeyFAWZMJHFENIDPI-UHFFFAOYSA-N
XLogP3.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-bromo-2-ethyl-3,4-dimethylbenzene
CID 141218396
1-ethenyl-3,4-diethyl-2-methylbenzene
CID 54110697
2-ethyl-3,4-dimethylbenzoic acid
CID 58433951
2,3-diethyl-6-methylbenzamide
CID 174760493
1-(2,3,6-trimethylphenyl)butan-2-one
CID 583459
3-chloro-1-ethyl-2,4-dimethylbenzene
CID 141381436
2-ethyl-3-methyl-1,4-dipropylbenzene
CID 155697581
(2,3-diethyl-6-methylphenyl) dihydrogen phosphite
CID 150334034
1,2-dimethyl-3,4-dioctylbenzene
CID 175311687
1,2,3-triethyl-4-prop-2-enylbenzene
CID 18622289
2,3,6-triethylaniline
CID 21412862
2,3,4-triethylbenzonitrile
CID 22750758

Frequently Asked Questions

What is the IUPAC name of 1,2-diethyl-3,4-dimethylbenzene?
The IUPAC name of 1,2-diethyl-3,4-dimethylbenzene (CID 590292) is 1,2-diethyl-3,4-dimethylbenzene.
What is the SMILES notation for 1,2-diethyl-3,4-dimethylbenzene?
The canonical SMILES for 1,2-diethyl-3,4-dimethylbenzene is CCc1ccc(C)c(C)c1CC.
What is the InChIKey of 1,2-diethyl-3,4-dimethylbenzene?
The InChIKey is FAWZMJHFENIDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18/c1-5-11-8-7-9(3)10(4)12(11)6-2/h7-8H,5-6H2,1-4H3.
What are the key properties of 1,2-diethyl-3,4-dimethylbenzene?
1,2-diethyl-3,4-dimethylbenzene has a molecular weight of 162.28 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethyl-3,4-dimethylbenzene is sourced from PubChem (CID 590292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).