3-[3-[2-(2,6-dimethylphenyl)ethenyl]-2-methylphenyl]propanal

C20H22O — CID 90859699

IUPAC3-[3-[2-(2,6-dimethylphenyl)ethenyl]-2-methylphenyl]propanal
SMILESCc1cccc(C)c1C=Cc1cccc(CCC=O)c1C
InChIInChI=1S/C20H22O/c1-15-7-4-8-16(2)20(15)13-12-19-10-5-9-18(17(19)3)11-6-14-21/h4-5,7-10,12-14H,6,11H2,1-3H3
InChIKeyRYYGUVIGNKOCPF-UHFFFAOYSA-N
MW278.39 g/mol
LogP4.91
Rot. Bonds5

About 3-[3-[2-(2,6-dimethylphenyl)ethenyl]-2-methylphenyl]propanal

3-[3-[2-(2,6-dimethylphenyl)ethenyl]-2-methylphenyl]propanal (PubChem CID 90859699) has the molecular formula C20H22O and a molecular weight of 278.39 g/mol. Its IUPAC name is 3-[3-[2-(2,6-dimethylphenyl)ethenyl]-2-methylphenyl]propanal.

Molecular Properties

Compound Name3-[3-[2-(2,6-dimethylphenyl)ethenyl]-2-methylphenyl]propanal
PubChem CID90859699
Molecular FormulaC20H22O
Molecular Weight278.39 g/mol
Exact Mass278.17
IUPAC Name3-[3-[2-(2,6-dimethylphenyl)ethenyl]-2-methylphenyl]propanal
SMILESCc1cccc(C)c1C=Cc1cccc(CCC=O)c1C
InChIInChI=1S/C20H22O/c1-15-7-4-8-16(2)20(15)13-12-19-10-5-9-18(17(19)3)11-6-14-21/h4-5,7-10,12-14H,6,11H2,1-3H3
InChIKeyRYYGUVIGNKOCPF-UHFFFAOYSA-N
XLogP4.91
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methylphenyl)propanal
CID 15191870
3-(2-bromo-3-methylphenyl)propanal
CID 117326157
1-[(Z)-2-(2,3-dimethylphenyl)ethenyl]-2,3-dimethylbenzene
CID 135028757
3-(2,6-dimethylphenyl)propanal
CID 73014071
ethyl 2-methyl-6-(3-oxopropyl)benzoate
CID 134632321
3-[2-(ethylamino)-3-methylphenyl]propanal
CID 143063352
1,4-bis[(E)-2-(2-ethylphenyl)ethenyl]-2,3,5,6-tetramethylbenzene
CID 102216000
ethyl 2-[2-methyl-3-(3-oxopropyl)phenyl]acetate
CID 134632303
3-(3-hydroxy-2-methylsulfonylphenyl)propanal
CID 117328828
2-methyl-6-(2-oxopropyl)benzaldehyde
CID 130792355
1-butyl-2-methylbenzene;pentanal
CID 175490673
3-(4-fluoro-2,3-dimethylphenyl)propanal
CID 88680004

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(2,6-dimethylphenyl)ethenyl]-2-methylphenyl]propanal?
The IUPAC name of 3-[3-[2-(2,6-dimethylphenyl)ethenyl]-2-methylphenyl]propanal (CID 90859699) is 3-[3-[2-(2,6-dimethylphenyl)ethenyl]-2-methylphenyl]propanal.
What is the SMILES notation for 3-[3-[2-(2,6-dimethylphenyl)ethenyl]-2-methylphenyl]propanal?
The canonical SMILES for 3-[3-[2-(2,6-dimethylphenyl)ethenyl]-2-methylphenyl]propanal is Cc1cccc(C)c1C=Cc1cccc(CCC=O)c1C.
What is the InChIKey of 3-[3-[2-(2,6-dimethylphenyl)ethenyl]-2-methylphenyl]propanal?
The InChIKey is RYYGUVIGNKOCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O/c1-15-7-4-8-16(2)20(15)13-12-19-10-5-9-18(17(19)3)11-6-14-21/h4-5,7-10,12-14H,6,11H2,1-3H3.
What are the key properties of 3-[3-[2-(2,6-dimethylphenyl)ethenyl]-2-methylphenyl]propanal?
3-[3-[2-(2,6-dimethylphenyl)ethenyl]-2-methylphenyl]propanal has a molecular weight of 278.39 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(2,6-dimethylphenyl)ethenyl]-2-methylphenyl]propanal is sourced from PubChem (CID 90859699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).