3-methyl-4-(4-methylphenyl)benzaldehyde

C15H14O — CID 81447593

IUPAC3-methyl-4-(4-methylphenyl)benzaldehyde
SMILESCc1ccc(-c2ccc(C=O)cc2C)cc1
InChIInChI=1S/C15H14O/c1-11-3-6-14(7-4-11)15-8-5-13(10-16)9-12(15)2/h3-10H,1-2H3
InChIKeyPKHXUOXJGDEHKJ-UHFFFAOYSA-N
MW210.28 g/mol
LogP3.78
Rot. Bonds2

About 3-methyl-4-(4-methylphenyl)benzaldehyde

3-methyl-4-(4-methylphenyl)benzaldehyde (PubChem CID 81447593) has the molecular formula C15H14O and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-methyl-4-(4-methylphenyl)benzaldehyde.

Molecular Properties

Compound Name3-methyl-4-(4-methylphenyl)benzaldehyde
PubChem CID81447593
Molecular FormulaC15H14O
Molecular Weight210.28 g/mol
Exact Mass210.10
IUPAC Name3-methyl-4-(4-methylphenyl)benzaldehyde
SMILESCc1ccc(-c2ccc(C=O)cc2C)cc1
InChIInChI=1S/C15H14O/c1-11-3-6-14(7-4-11)15-8-5-13(10-16)9-12(15)2/h3-10H,1-2H3
InChIKeyPKHXUOXJGDEHKJ-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

4-(3,5-difluorophenyl)-3-methylbenzaldehyde
CID 81448215
4-[4-(difluoromethylsulfanyl)phenyl]-3-methylbenzaldehyde
CID 81447109
4-(4-chloro-3-methoxyphenyl)-3-methylbenzaldehyde
CID 81447221
4-methoxy-3-(4-methylphenyl)benzaldehyde
CID 82038833
2-methyl-4-prop-1-enyl-1-(4-prop-1-enylphenyl)benzene
CID 152732613
3-methyl-4-[2-methyl-4-(trifluoromethyl)phenyl]benzaldehyde
CID 102755549
sodium;hydride;4-methylbenzaldehyde
CID 173013137
2-methyl-4-[(E)-2-phenylethenyl]-1-[4-[(Z)-2-phenylethenyl]phenyl]benzene
CID 177422540
1,6-dimethylazulene
CID 10855725
3-methyl-4-quinolin-3-ylbenzaldehyde
CID 81447397
4-(3-ethoxyphenyl)-3-methylbenzaldehyde
CID 81448039
4-(2,5-difluorophenyl)-3-methylbenzaldehyde
CID 81446927

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(4-methylphenyl)benzaldehyde?
The IUPAC name of 3-methyl-4-(4-methylphenyl)benzaldehyde (CID 81447593) is 3-methyl-4-(4-methylphenyl)benzaldehyde.
What is the SMILES notation for 3-methyl-4-(4-methylphenyl)benzaldehyde?
The canonical SMILES for 3-methyl-4-(4-methylphenyl)benzaldehyde is Cc1ccc(-c2ccc(C=O)cc2C)cc1.
What is the InChIKey of 3-methyl-4-(4-methylphenyl)benzaldehyde?
The InChIKey is PKHXUOXJGDEHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O/c1-11-3-6-14(7-4-11)15-8-5-13(10-16)9-12(15)2/h3-10H,1-2H3.
What are the key properties of 3-methyl-4-(4-methylphenyl)benzaldehyde?
3-methyl-4-(4-methylphenyl)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 3-methyl-4-(4-methylphenyl)benzaldehyde is sourced from PubChem (CID 81447593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).