2-(3,5-dimethylphenyl)benzaldehyde

C15H14O — CID 61025926

IUPAC2-(3,5-dimethylphenyl)benzaldehyde
SMILESCc1cc(C)cc(-c2ccccc2C=O)c1
InChIInChI=1S/C15H14O/c1-11-7-12(2)9-14(8-11)15-6-4-3-5-13(15)10-16/h3-10H,1-2H3
InChIKeyWDHIIRXXFSFFRS-UHFFFAOYSA-N
MW210.28 g/mol
LogP3.78
Rot. Bonds2

About 2-(3,5-dimethylphenyl)benzaldehyde

2-(3,5-dimethylphenyl)benzaldehyde (PubChem CID 61025926) has the molecular formula C15H14O and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)benzaldehyde.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)benzaldehyde
PubChem CID61025926
Molecular FormulaC15H14O
Molecular Weight210.28 g/mol
Exact Mass210.10
IUPAC Name2-(3,5-dimethylphenyl)benzaldehyde
SMILESCc1cc(C)cc(-c2ccccc2C=O)c1
InChIInChI=1S/C15H14O/c1-11-7-12(2)9-14(8-11)15-6-4-3-5-13(15)10-16/h3-10H,1-2H3
InChIKeyWDHIIRXXFSFFRS-UHFFFAOYSA-N
XLogP3.78
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 53.78
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-(3-hydroxy-5-methylphenyl)benzaldehyde
CID 53218803
2-[2-(oxo(113C)methyl)phenyl](13C2)benzaldehyde
CID 169434237
2-(3,4,5-trifluorophenyl)benzaldehyde
CID 61240259
2-phosphorosooxybenzaldehyde;1,3,5-trimethylbenzene
CID 174573028
2-(3-chloro-4-methylphenyl)benzaldehyde
CID 115504091
2-(4-fluoro-3-methylphenyl)benzaldehyde
CID 61025610
1,3-dimethyl-5-(2-methylphenyl)benzene
CID 12639839
N-benzyl-N-methyl-1-phenylmethanamine;2-(3-methylphenyl)benzaldehyde
CID 142814461
ethane;2-[10-(2-formylphenyl)anthracen-9-yl]benzaldehyde
CID 143224039
2-(4-methoxy-3-methylphenyl)benzaldehyde
CID 54910312
2-(3-formylphenyl)benzaldehyde
CID 57186210
2-(2-methoxy-4,6-dimethylphenyl)benzaldehyde
CID 106681100

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)benzaldehyde?
The IUPAC name of 2-(3,5-dimethylphenyl)benzaldehyde (CID 61025926) is 2-(3,5-dimethylphenyl)benzaldehyde.
What is the SMILES notation for 2-(3,5-dimethylphenyl)benzaldehyde?
The canonical SMILES for 2-(3,5-dimethylphenyl)benzaldehyde is Cc1cc(C)cc(-c2ccccc2C=O)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)benzaldehyde?
The InChIKey is WDHIIRXXFSFFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O/c1-11-7-12(2)9-14(8-11)15-6-4-3-5-13(15)10-16/h3-10H,1-2H3.
What are the key properties of 2-(3,5-dimethylphenyl)benzaldehyde?
2-(3,5-dimethylphenyl)benzaldehyde has a molecular weight of 210.28 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)benzaldehyde is sourced from PubChem (CID 61025926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).