3-[4-(4-methylphenyl)phenyl]propanal

C16H16O — CID 145376842

IUPAC3-[4-(4-methylphenyl)phenyl]propanal
SMILESCc1ccc(-c2ccc(CCC=O)cc2)cc1
InChIInChI=1S/C16H16O/c1-13-4-8-15(9-5-13)16-10-6-14(7-11-16)3-2-12-17/h4-12H,2-3H2,1H3
InChIKeyNTODLEAPNWGMHN-UHFFFAOYSA-N
MW224.30 g/mol
LogP3.79
Rot. Bonds4

About 3-[4-(4-methylphenyl)phenyl]propanal

3-[4-(4-methylphenyl)phenyl]propanal (PubChem CID 145376842) has the molecular formula C16H16O and a molecular weight of 224.30 g/mol. Its IUPAC name is 3-[4-(4-methylphenyl)phenyl]propanal.

Molecular Properties

Compound Name3-[4-(4-methylphenyl)phenyl]propanal
PubChem CID145376842
Molecular FormulaC16H16O
Molecular Weight224.30 g/mol
Exact Mass224.12
IUPAC Name3-[4-(4-methylphenyl)phenyl]propanal
SMILESCc1ccc(-c2ccc(CCC=O)cc2)cc1
InChIInChI=1S/C16H16O/c1-13-4-8-15(9-5-13)16-10-6-14(7-11-16)3-2-12-17/h4-12H,2-3H2,1H3
InChIKeyNTODLEAPNWGMHN-UHFFFAOYSA-N
XLogP3.79
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 53.79
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-(4-methylphenyl)butanal
CID 12719282
bromobenzene;3-(4-methylphenyl)propanal
CID 145170933
1-methyl-4-(4-propylphenyl)benzene
CID 157416879
3-(4-tert-butylphenyl)propanal
CID 87303470
3-(4-chlorophenyl)propanal;ethane
CID 142069464
1-hex-5-enyl-4-(4-methylphenyl)benzene
CID 59812350
1-methyl-4-[4-[2-(4-propylphenyl)ethyl]phenyl]benzene
CID 140875006
4-(3-oxopropyl)benzaldehyde
CID 12927813
ethane;formamide;1-methyl-4-propylbenzene
CID 143471754
methanesulfonic acid;1-methyl-4-[4-[2-(4-methylphenyl)ethyl]phenyl]benzene
CID 91314027
1-[2-[4-[(E)-hex-3-enyl]phenyl]ethynyl]-4-(4-methylphenyl)benzene
CID 139764861
3-(4-chlorophenyl)propanal;dihydrochloride
CID 141114380

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methylphenyl)phenyl]propanal?
The IUPAC name of 3-[4-(4-methylphenyl)phenyl]propanal (CID 145376842) is 3-[4-(4-methylphenyl)phenyl]propanal.
What is the SMILES notation for 3-[4-(4-methylphenyl)phenyl]propanal?
The canonical SMILES for 3-[4-(4-methylphenyl)phenyl]propanal is Cc1ccc(-c2ccc(CCC=O)cc2)cc1.
What is the InChIKey of 3-[4-(4-methylphenyl)phenyl]propanal?
The InChIKey is NTODLEAPNWGMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O/c1-13-4-8-15(9-5-13)16-10-6-14(7-11-16)3-2-12-17/h4-12H,2-3H2,1H3.
What are the key properties of 3-[4-(4-methylphenyl)phenyl]propanal?
3-[4-(4-methylphenyl)phenyl]propanal has a molecular weight of 224.30 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methylphenyl)phenyl]propanal is sourced from PubChem (CID 145376842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).