2-[2-(4-phenylphenyl)phenyl]acetaldehyde

C20H16O — CID 87253874

IUPAC2-[2-(4-phenylphenyl)phenyl]acetaldehyde
SMILESO=CCc1ccccc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H16O/c21-15-14-18-8-4-5-9-20(18)19-12-10-17(11-13-19)16-6-2-1-3-7-16/h1-13,15H,14H2
InChIKeyUIPBANSEDUKMBM-UHFFFAOYSA-N
MW272.35 g/mol
LogP4.76
Rot. Bonds4

About 2-[2-(4-phenylphenyl)phenyl]acetaldehyde

2-[2-(4-phenylphenyl)phenyl]acetaldehyde (PubChem CID 87253874) has the molecular formula C20H16O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[2-(4-phenylphenyl)phenyl]acetaldehyde.

Molecular Properties

Compound Name2-[2-(4-phenylphenyl)phenyl]acetaldehyde
PubChem CID87253874
Molecular FormulaC20H16O
Molecular Weight272.35 g/mol
Exact Mass272.12
IUPAC Name2-[2-(4-phenylphenyl)phenyl]acetaldehyde
SMILESO=CCc1ccccc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H16O/c21-15-14-18-8-4-5-9-20(18)19-12-10-17(11-13-19)16-6-2-1-3-7-16/h1-13,15H,14H2
InChIKeyUIPBANSEDUKMBM-UHFFFAOYSA-N
XLogP4.76
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 54.76
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

formic acid;1-phenyl-2-prop-2-enylbenzene
CID 174921582
2-[2-(3-ethylphenyl)phenyl]acetaldehyde
CID 87253918
2-(3-phenylnaphthalen-2-yl)acetaldehyde
CID 141482451
2-[2-(3,4-dimethoxyphenyl)phenyl]acetaldehyde
CID 87253869
1-phenyl-2-prop-2-enylbenzene;stilbene
CID 173298564
1-phenyl-2-[(2-phenylphenyl)methyl]benzene
CID 54434316
3-azulen-1-ylprop-1-en-1-ol
CID 67644602
2-(2-prop-2-enylphenyl)acetaldehyde
CID 134852101
acetic acid;1-ethyl-2-phenylbenzene
CID 67681814
2-[2-(2,6-dimethylphenyl)phenyl]acetaldehyde
CID 87769884
ethane;bis(1-ethyl-2-phenylbenzene);propane
CID 145452261
N-[(2-phenylphenyl)methyl]prop-2-en-1-amine
CID 90242469

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-phenylphenyl)phenyl]acetaldehyde?
The IUPAC name of 2-[2-(4-phenylphenyl)phenyl]acetaldehyde (CID 87253874) is 2-[2-(4-phenylphenyl)phenyl]acetaldehyde.
What is the SMILES notation for 2-[2-(4-phenylphenyl)phenyl]acetaldehyde?
The canonical SMILES for 2-[2-(4-phenylphenyl)phenyl]acetaldehyde is O=CCc1ccccc1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-[2-(4-phenylphenyl)phenyl]acetaldehyde?
The InChIKey is UIPBANSEDUKMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O/c21-15-14-18-8-4-5-9-20(18)19-12-10-17(11-13-19)16-6-2-1-3-7-16/h1-13,15H,14H2.
What are the key properties of 2-[2-(4-phenylphenyl)phenyl]acetaldehyde?
2-[2-(4-phenylphenyl)phenyl]acetaldehyde has a molecular weight of 272.35 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-phenylphenyl)phenyl]acetaldehyde is sourced from PubChem (CID 87253874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).