2-[3-(3-phenylphenyl)propyl]penta-3,4-dienal

C20H20O — CID 174599880

IUPAC2-[3-(3-phenylphenyl)propyl]penta-3,4-dienal
SMILESC=C=CC(C=O)CCCc1cccc(-c2ccccc2)c1
InChIInChI=1S/C20H20O/c1-2-8-18(16-21)11-6-9-17-10-7-14-20(15-17)19-12-4-3-5-13-19/h3-5,7-8,10,12-16,18H,1,6,9,11H2
InChIKeyQFARBFNSEXTADO-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.83
Rot. Bonds7

About 2-[3-(3-phenylphenyl)propyl]penta-3,4-dienal

2-[3-(3-phenylphenyl)propyl]penta-3,4-dienal (PubChem CID 174599880) has the molecular formula C20H20O and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[3-(3-phenylphenyl)propyl]penta-3,4-dienal.

Molecular Properties

Compound Name2-[3-(3-phenylphenyl)propyl]penta-3,4-dienal
PubChem CID174599880
Molecular FormulaC20H20O
Molecular Weight276.38 g/mol
Exact Mass276.15
IUPAC Name2-[3-(3-phenylphenyl)propyl]penta-3,4-dienal
SMILESC=C=CC(C=O)CCCc1cccc(-c2ccccc2)c1
InChIInChI=1S/C20H20O/c1-2-8-18(16-21)11-6-9-17-10-7-14-20(15-17)19-12-4-3-5-13-19/h3-5,7-8,10,12-16,18H,1,6,9,11H2
InChIKeyQFARBFNSEXTADO-UHFFFAOYSA-N
XLogP4.83
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.83
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

1-(4-methylpentyl)-3-phenylbenzene
CID 19790542
1-phenyl-3-(3-phenylpropyl)benzene
CID 153492299
(4S)-7-(3-phenylphenyl)hept-2-en-4-ol
CID 91174797
3-(3-phenylphenyl)propan-1-amine
CID 68886504
1-(3-methylbutyl)-3-phenylbenzene
CID 21063782
4-(3-phenylphenyl)butan-1-amine
CID 117324209
5-(3-phenylphenyl)pentan-1-ol
CID 57054310
1-(3-methylbut-3-enyl)-3-phenylbenzene
CID 143843043
1-phenyl-3-propylbenzene
CID 4110465
2-bromo-5-phenylpentanal
CID 121216418
N-chloro-2-(3-phenylphenyl)ethanamine
CID 88912569
N-methyl-6-(3-phenylphenyl)hexan-1-amine
CID 142524763

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-phenylphenyl)propyl]penta-3,4-dienal?
The IUPAC name of 2-[3-(3-phenylphenyl)propyl]penta-3,4-dienal (CID 174599880) is 2-[3-(3-phenylphenyl)propyl]penta-3,4-dienal.
What is the SMILES notation for 2-[3-(3-phenylphenyl)propyl]penta-3,4-dienal?
The canonical SMILES for 2-[3-(3-phenylphenyl)propyl]penta-3,4-dienal is C=C=CC(C=O)CCCc1cccc(-c2ccccc2)c1.
What is the InChIKey of 2-[3-(3-phenylphenyl)propyl]penta-3,4-dienal?
The InChIKey is QFARBFNSEXTADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O/c1-2-8-18(16-21)11-6-9-17-10-7-14-20(15-17)19-12-4-3-5-13-19/h3-5,7-8,10,12-16,18H,1,6,9,11H2.
What are the key properties of 2-[3-(3-phenylphenyl)propyl]penta-3,4-dienal?
2-[3-(3-phenylphenyl)propyl]penta-3,4-dienal has a molecular weight of 276.38 g/mol, XLogP of 4.83, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-phenylphenyl)propyl]penta-3,4-dienal is sourced from PubChem (CID 174599880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).