3-ethyl-6-(2-phenylphenyl)phthalaldehyde

C22H18O2 — CID 154432219

IUPAC3-ethyl-6-(2-phenylphenyl)phthalaldehyde
SMILESCCc1ccc(-c2ccccc2-c2ccccc2)c(C=O)c1C=O
InChIInChI=1S/C22H18O2/c1-2-16-12-13-20(22(15-24)21(16)14-23)19-11-7-6-10-18(19)17-8-4-3-5-9-17/h3-15H,2H2,1H3
InChIKeyTYLPCYQYFCRZBT-UHFFFAOYSA-N
MW314.38 g/mol
LogP5.21
Rot. Bonds5

About 3-ethyl-6-(2-phenylphenyl)phthalaldehyde

3-ethyl-6-(2-phenylphenyl)phthalaldehyde (PubChem CID 154432219) has the molecular formula C22H18O2 and a molecular weight of 314.38 g/mol. Its IUPAC name is 3-ethyl-6-(2-phenylphenyl)phthalaldehyde.

Molecular Properties

Compound Name3-ethyl-6-(2-phenylphenyl)phthalaldehyde
PubChem CID154432219
Molecular FormulaC22H18O2
Molecular Weight314.38 g/mol
Exact Mass314.13
IUPAC Name3-ethyl-6-(2-phenylphenyl)phthalaldehyde
SMILESCCc1ccc(-c2ccccc2-c2ccccc2)c(C=O)c1C=O
InChIInChI=1S/C22H18O2/c1-2-16-12-13-20(22(15-24)21(16)14-23)19-11-7-6-10-18(19)17-8-4-3-5-9-17/h3-15H,2H2,1H3
InChIKeyTYLPCYQYFCRZBT-UHFFFAOYSA-N
XLogP5.21
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.38
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-hexyl-6-(2-phenylphenyl)phthalaldehyde
CID 154432223
carbonic acid;1-ethyl-2-(2-phenylphenyl)benzene
CID 67179432
2,6-diphenylbenzaldehyde;ethylhydrazine
CID 174965606
acetic acid;1-ethyl-2-phenylbenzene
CID 67681814
3,4-dibutoxy-6-(2-phenylphenyl)phthalaldehyde
CID 164548433
2-(2-phenylphenyl)benzaldehyde
CID 11322869
ethane;bis(1-ethyl-2-phenylbenzene);propane
CID 145452261
ethane;2-ethylnaphthalene-1-carbaldehyde
CID 91261169
3,4-bis(2-phenylphenyl)benzaldehyde
CID 141272209
2-naphthalen-1-yl-6-phenylbenzaldehyde
CID 90885229
6-(2-ethylphenyl)-2-hydroxy-3-methoxybenzaldehyde
CID 91468164
2-phenylazulene-1-carbaldehyde
CID 102378835

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-(2-phenylphenyl)phthalaldehyde?
The IUPAC name of 3-ethyl-6-(2-phenylphenyl)phthalaldehyde (CID 154432219) is 3-ethyl-6-(2-phenylphenyl)phthalaldehyde.
What is the SMILES notation for 3-ethyl-6-(2-phenylphenyl)phthalaldehyde?
The canonical SMILES for 3-ethyl-6-(2-phenylphenyl)phthalaldehyde is CCc1ccc(-c2ccccc2-c2ccccc2)c(C=O)c1C=O.
What is the InChIKey of 3-ethyl-6-(2-phenylphenyl)phthalaldehyde?
The InChIKey is TYLPCYQYFCRZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O2/c1-2-16-12-13-20(22(15-24)21(16)14-23)19-11-7-6-10-18(19)17-8-4-3-5-9-17/h3-15H,2H2,1H3.
What are the key properties of 3-ethyl-6-(2-phenylphenyl)phthalaldehyde?
3-ethyl-6-(2-phenylphenyl)phthalaldehyde has a molecular weight of 314.38 g/mol, XLogP of 5.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-(2-phenylphenyl)phthalaldehyde is sourced from PubChem (CID 154432219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).