2-ethyl-6-methylbenzaldehyde;1,4-xylene

C18H22O — CID 143282659

IUPAC2-ethyl-6-methylbenzaldehyde;1,4-xylene
SMILESCCc1cccc(C)c1C=O.Cc1ccc(C)cc1
InChIInChI=1S/C10H12O.C8H10/c1-3-9-6-4-5-8(2)10(9)7-11;1-7-3-5-8(2)6-4-7/h4-7H,3H2,1-2H3;3-6H,1-2H3
InChIKeyYNEHYLKAEMGFLK-UHFFFAOYSA-N
MW254.37 g/mol
LogP4.67
Rot. Bonds2

About 2-ethyl-6-methylbenzaldehyde;1,4-xylene

2-ethyl-6-methylbenzaldehyde;1,4-xylene (PubChem CID 143282659) has the molecular formula C18H22O and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-ethyl-6-methylbenzaldehyde;1,4-xylene.

Molecular Properties

Compound Name2-ethyl-6-methylbenzaldehyde;1,4-xylene
PubChem CID143282659
Molecular FormulaC18H22O
Molecular Weight254.37 g/mol
Exact Mass254.17
IUPAC Name2-ethyl-6-methylbenzaldehyde;1,4-xylene
SMILESCCc1cccc(C)c1C=O.Cc1ccc(C)cc1
InChIInChI=1S/C10H12O.C8H10/c1-3-9-6-4-5-8(2)10(9)7-11;1-7-3-5-8(2)6-4-7/h4-7H,3H2,1-2H3;3-6H,1-2H3
InChIKeyYNEHYLKAEMGFLK-UHFFFAOYSA-N
XLogP4.67
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2,6-dimethylbenzaldehyde
CID 159545887
2-methyl-6-(2-oxopropyl)benzaldehyde
CID 130792355
bis(2,6-diethylphenol);1,4-xylene
CID 160641052
2-ethyl-6-(methoxymethoxy)benzaldehyde
CID 59509177
2-amino-6-methylbenzaldehyde
CID 23046538
1-ethyl-2-methylbenzene;propane;toluene
CID 159725880
2-[(2S)-butan-2-yl]-6-ethylbenzaldehyde
CID 124562964
N-(2-formyl-3-methylphenyl)-4-methylbenzenesulfonamide
CID 132937124
benzene;1,2-diethylbenzene;1,2-xylene
CID 174742983
4-ethyl-2-methyl-1H-indole-3-carbaldehyde
CID 88756486
acetylene;1-ethyl-2,3-dimethylbenzene
CID 174688234
1-benzyl-2-ethenyl-3-methylbenzene
CID 140517304

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methylbenzaldehyde;1,4-xylene?
The IUPAC name of 2-ethyl-6-methylbenzaldehyde;1,4-xylene (CID 143282659) is 2-ethyl-6-methylbenzaldehyde;1,4-xylene.
What is the SMILES notation for 2-ethyl-6-methylbenzaldehyde;1,4-xylene?
The canonical SMILES for 2-ethyl-6-methylbenzaldehyde;1,4-xylene is CCc1cccc(C)c1C=O.Cc1ccc(C)cc1.
What is the InChIKey of 2-ethyl-6-methylbenzaldehyde;1,4-xylene?
The InChIKey is YNEHYLKAEMGFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O.C8H10/c1-3-9-6-4-5-8(2)10(9)7-11;1-7-3-5-8(2)6-4-7/h4-7H,3H2,1-2H3;3-6H,1-2H3.
What are the key properties of 2-ethyl-6-methylbenzaldehyde;1,4-xylene?
2-ethyl-6-methylbenzaldehyde;1,4-xylene has a molecular weight of 254.37 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methylbenzaldehyde;1,4-xylene is sourced from PubChem (CID 143282659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).