1-ethyl-2,3-dimethylbenzene;1-ethyl-2-methylbenzene

C19H26 — CID 158943282

IUPAC1-ethyl-2,3-dimethylbenzene;1-ethyl-2-methylbenzene
SMILESCCc1cccc(C)c1C.CCc1ccccc1C
InChIInChI=1S/C10H14.C9H12/c1-4-10-7-5-6-8(2)9(10)3;1-3-9-7-5-4-6-8(9)2/h5-7H,4H2,1-3H3;4-7H,3H2,1-2H3
InChIKeyJKMZXGNIEXTVPQ-UHFFFAOYSA-N
MW254.42 g/mol
LogP5.42
Rot. Bonds2

About 1-ethyl-2,3-dimethylbenzene;1-ethyl-2-methylbenzene

1-ethyl-2,3-dimethylbenzene;1-ethyl-2-methylbenzene (PubChem CID 158943282) has the molecular formula C19H26 and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-ethyl-2,3-dimethylbenzene;1-ethyl-2-methylbenzene.

Molecular Properties

Compound Name1-ethyl-2,3-dimethylbenzene;1-ethyl-2-methylbenzene
PubChem CID158943282
Molecular FormulaC19H26
Molecular Weight254.42 g/mol
Exact Mass254.20
IUPAC Name1-ethyl-2,3-dimethylbenzene;1-ethyl-2-methylbenzene
SMILESCCc1cccc(C)c1C.CCc1ccccc1C
InChIInChI=1S/C10H14.C9H12/c1-4-10-7-5-6-8(2)9(10)3;1-3-9-7-5-4-6-8(9)2/h5-7H,4H2,1-3H3;4-7H,3H2,1-2H3
InChIKeyJKMZXGNIEXTVPQ-UHFFFAOYSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.42
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 174688234
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CID 144514138
1-ethyl-2-methylbenzene;sulfamide
CID 67800161
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CID 67948051
1-ethyl-2-methylbenzene;propane;toluene
CID 159725880
1-ethyl-2-methylbenzene;phenol
CID 161311856
benzene;1,2-diethylbenzene;1,2-xylene
CID 174742983
N-[(2,3-dimethylphenyl)methyl]-2-ethylaniline
CID 55197489
1-ethyl-2-methylbenzene;4-(4-hydroxyphenyl)phenol
CID 174751633
1-ethyl-2,3-dimethylbenzene;3-methylpent-1-ene;molecular hydrogen
CID 165392060
1-(fluoromethyl)-2,3-dimethylbenzene
CID 15724442

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,3-dimethylbenzene;1-ethyl-2-methylbenzene?
The IUPAC name of 1-ethyl-2,3-dimethylbenzene;1-ethyl-2-methylbenzene (CID 158943282) is 1-ethyl-2,3-dimethylbenzene;1-ethyl-2-methylbenzene.
What is the SMILES notation for 1-ethyl-2,3-dimethylbenzene;1-ethyl-2-methylbenzene?
The canonical SMILES for 1-ethyl-2,3-dimethylbenzene;1-ethyl-2-methylbenzene is CCc1cccc(C)c1C.CCc1ccccc1C.
What is the InChIKey of 1-ethyl-2,3-dimethylbenzene;1-ethyl-2-methylbenzene?
The InChIKey is JKMZXGNIEXTVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.C9H12/c1-4-10-7-5-6-8(2)9(10)3;1-3-9-7-5-4-6-8(9)2/h5-7H,4H2,1-3H3;4-7H,3H2,1-2H3.
What are the key properties of 1-ethyl-2,3-dimethylbenzene;1-ethyl-2-methylbenzene?
1-ethyl-2,3-dimethylbenzene;1-ethyl-2-methylbenzene has a molecular weight of 254.42 g/mol, XLogP of 5.42, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,3-dimethylbenzene;1-ethyl-2-methylbenzene is sourced from PubChem (CID 158943282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).