2-[5-(2-formylphenyl)-2,6-dimethylnaphthalen-1-yl]benzaldehyde

C26H20O2 — CID 132539599

IUPAC2-[5-(2-formylphenyl)-2,6-dimethylnaphthalen-1-yl]benzaldehyde
SMILESCc1ccc2c(-c3ccccc3C=O)c(C)ccc2c1-c1ccccc1C=O
InChIInChI=1S/C26H20O2/c1-17-11-13-24-23(25(17)21-9-5-3-7-19(21)15-27)14-12-18(2)26(24)22-10-6-4-8-20(22)16-28/h3-16H,1-2H3
InChIKeyIRRIPORHSHNBER-UHFFFAOYSA-N
MW364.44 g/mol
LogP6.42
Rot. Bonds4

About 2-[5-(2-formylphenyl)-2,6-dimethylnaphthalen-1-yl]benzaldehyde

2-[5-(2-formylphenyl)-2,6-dimethylnaphthalen-1-yl]benzaldehyde (PubChem CID 132539599) has the molecular formula C26H20O2 and a molecular weight of 364.44 g/mol. Its IUPAC name is 2-[5-(2-formylphenyl)-2,6-dimethylnaphthalen-1-yl]benzaldehyde.

Molecular Properties

Compound Name2-[5-(2-formylphenyl)-2,6-dimethylnaphthalen-1-yl]benzaldehyde
PubChem CID132539599
Molecular FormulaC26H20O2
Molecular Weight364.44 g/mol
Exact Mass364.15
IUPAC Name2-[5-(2-formylphenyl)-2,6-dimethylnaphthalen-1-yl]benzaldehyde
SMILESCc1ccc2c(-c3ccccc3C=O)c(C)ccc2c1-c1ccccc1C=O
InChIInChI=1S/C26H20O2/c1-17-11-13-24-23(25(17)21-9-5-3-7-19(21)15-27)14-12-18(2)26(24)22-10-6-4-8-20(22)16-28/h3-16H,1-2H3
InChIKeyIRRIPORHSHNBER-UHFFFAOYSA-N
XLogP6.42
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.44
LogP ≤ 56.42
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

ethane;2-[10-(2-formylphenyl)anthracen-9-yl]benzaldehyde
CID 143224039
2-[2-(oxo(113C)methyl)phenyl](13C2)benzaldehyde
CID 169434237
2-[2,3,4-tris(2-formylphenyl)-6-methyl-5-(2,3,4,5,6-pentamethylphenyl)phenyl]benzaldehyde
CID 163215546
2-[4-(2-formylphenyl)naphthalen-1-yl]benzaldehyde
CID 10806790
2-(2-methoxy-4,6-dimethylphenyl)benzaldehyde
CID 106681100
2-(3-chloro-4-methylphenyl)benzaldehyde
CID 115504091
2-(4-methylfuran-3-yl)benzaldehyde
CID 131007556
2-(3,5-dimethylphenyl)benzaldehyde
CID 61025926
3-(3-formyl-2-methylphenyl)-2-methylbenzaldehyde
CID 86188059
2-(2,3,6-trimethylphenoxy)benzaldehyde
CID 43345612
2-(3-bromo-2,6-difluorophenyl)benzaldehyde
CID 106943268
benzyl 2-(2-formylphenyl)-3-methylbenzoate
CID 170993305

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-formylphenyl)-2,6-dimethylnaphthalen-1-yl]benzaldehyde?
The IUPAC name of 2-[5-(2-formylphenyl)-2,6-dimethylnaphthalen-1-yl]benzaldehyde (CID 132539599) is 2-[5-(2-formylphenyl)-2,6-dimethylnaphthalen-1-yl]benzaldehyde.
What is the SMILES notation for 2-[5-(2-formylphenyl)-2,6-dimethylnaphthalen-1-yl]benzaldehyde?
The canonical SMILES for 2-[5-(2-formylphenyl)-2,6-dimethylnaphthalen-1-yl]benzaldehyde is Cc1ccc2c(-c3ccccc3C=O)c(C)ccc2c1-c1ccccc1C=O.
What is the InChIKey of 2-[5-(2-formylphenyl)-2,6-dimethylnaphthalen-1-yl]benzaldehyde?
The InChIKey is IRRIPORHSHNBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20O2/c1-17-11-13-24-23(25(17)21-9-5-3-7-19(21)15-27)14-12-18(2)26(24)22-10-6-4-8-20(22)16-28/h3-16H,1-2H3.
What are the key properties of 2-[5-(2-formylphenyl)-2,6-dimethylnaphthalen-1-yl]benzaldehyde?
2-[5-(2-formylphenyl)-2,6-dimethylnaphthalen-1-yl]benzaldehyde has a molecular weight of 364.44 g/mol, XLogP of 6.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-formylphenyl)-2,6-dimethylnaphthalen-1-yl]benzaldehyde is sourced from PubChem (CID 132539599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).