4-[2-(4-formylphenyl)propyl]benzaldehyde

C17H16O2 — CID 141344923

IUPAC4-[2-(4-formylphenyl)propyl]benzaldehyde
SMILESCC(Cc1ccc(C=O)cc1)c1ccc(C=O)cc1
InChIInChI=1S/C17H16O2/c1-13(17-8-6-16(12-19)7-9-17)10-14-2-4-15(11-18)5-3-14/h2-9,11-13H,10H2,1H3
InChIKeyUTICSPBNCHMGHN-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.66
Rot. Bonds5

About 4-[2-(4-formylphenyl)propyl]benzaldehyde

4-[2-(4-formylphenyl)propyl]benzaldehyde (PubChem CID 141344923) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 4-[2-(4-formylphenyl)propyl]benzaldehyde.

Molecular Properties

Compound Name4-[2-(4-formylphenyl)propyl]benzaldehyde
PubChem CID141344923
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name4-[2-(4-formylphenyl)propyl]benzaldehyde
SMILESCC(Cc1ccc(C=O)cc1)c1ccc(C=O)cc1
InChIInChI=1S/C17H16O2/c1-13(17-8-6-16(12-19)7-9-17)10-14-2-4-15(11-18)5-3-14/h2-9,11-13H,10H2,1H3
InChIKeyUTICSPBNCHMGHN-UHFFFAOYSA-N
XLogP3.66
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[2-(4-formylphenyl)propyl]benzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1-hydroxypropan-2-yl)benzaldehyde
CID 130131368
4-propan-2-ylbenzaldehyde
CID 326
1-bromo-4-[1-(4-bromophenyl)propan-2-yl]benzene
CID 11221951
4-(2,2-dihydroxyethyl)benzaldehyde
CID 20644922
1,4-bis(2-phenylpropyl)benzene
CID 19376086
4-(4-formylphenyl)pentanoic acid
CID 23962618
4-[(1R)-1-fluoroethyl]benzaldehyde
CID 124547500
1-phenyl-4-[1-(4-phenylphenyl)propan-2-yl]benzene
CID 142290495
4-[(2S)-6-methylhept-5-en-2-yl]benzaldehyde
CID 102063199
ethane;iodomethane;4-propan-2-ylbenzaldehyde
CID 145474217
4-[4-[(2R)-2-cyclohexa-1,3-dien-1-ylpropyl]phenyl]benzaldehyde
CID 89277097
4-(2,3-dichloropropyl)benzaldehyde
CID 87468753

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-formylphenyl)propyl]benzaldehyde?
The IUPAC name of 4-[2-(4-formylphenyl)propyl]benzaldehyde (CID 141344923) is 4-[2-(4-formylphenyl)propyl]benzaldehyde.
What is the SMILES notation for 4-[2-(4-formylphenyl)propyl]benzaldehyde?
The canonical SMILES for 4-[2-(4-formylphenyl)propyl]benzaldehyde is CC(Cc1ccc(C=O)cc1)c1ccc(C=O)cc1.
What is the InChIKey of 4-[2-(4-formylphenyl)propyl]benzaldehyde?
The InChIKey is UTICSPBNCHMGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c1-13(17-8-6-16(12-19)7-9-17)10-14-2-4-15(11-18)5-3-14/h2-9,11-13H,10H2,1H3.
What are the key properties of 4-[2-(4-formylphenyl)propyl]benzaldehyde?
4-[2-(4-formylphenyl)propyl]benzaldehyde has a molecular weight of 252.31 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-formylphenyl)propyl]benzaldehyde is sourced from PubChem (CID 141344923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).