2,2-bis(4-methylphenyl)acetaldehyde

C16H16O — CID 10867935

IUPAC2,2-bis(4-methylphenyl)acetaldehyde
SMILESCc1ccc(C(C=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C16H16O/c1-12-3-7-14(8-4-12)16(11-17)15-9-5-13(2)6-10-15/h3-11,16H,1-2H3
InChIKeyPZHPHPYDAHUQCX-UHFFFAOYSA-N
MW224.30 g/mol
LogP3.63
Rot. Bonds3

About 2,2-bis(4-methylphenyl)acetaldehyde

2,2-bis(4-methylphenyl)acetaldehyde (PubChem CID 10867935) has the molecular formula C16H16O and a molecular weight of 224.30 g/mol. Its IUPAC name is 2,2-bis(4-methylphenyl)acetaldehyde.

Molecular Properties

Compound Name2,2-bis(4-methylphenyl)acetaldehyde
PubChem CID10867935
Molecular FormulaC16H16O
Molecular Weight224.30 g/mol
Exact Mass224.12
IUPAC Name2,2-bis(4-methylphenyl)acetaldehyde
SMILESCc1ccc(C(C=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C16H16O/c1-12-3-7-14(8-4-12)16(11-17)15-9-5-13(2)6-10-15/h3-11,16H,1-2H3
InChIKeyPZHPHPYDAHUQCX-UHFFFAOYSA-N
XLogP3.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 53.63
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

2-(4-methylphenyl)propanedial
CID 2736930
(2S)-2-hydroxy-2-(4-methylphenyl)acetaldehyde
CID 130026128
2,2-bis(4-tert-butylphenyl)acetaldehyde
CID 19958795
formic acid;1-methyl-4-propan-2-ylbenzene
CID 145124547
3-imino-2-(4-methylphenyl)propanal
CID 130024776
2-(3-bromo-4-methylphenyl)-2-phenylacetaldehyde
CID 172604328
2-(2,6-dimethyl-4-pyridinyl)-2-phenylacetaldehyde
CID 87096774
2-[(4-methylphenyl)methyl]propanedial
CID 59310904
2-(4-methylphenyl)-3-(propan-2-ylamino)propanal
CID 91120668
2-(2-methylphenyl)-2-phenylacetaldehyde
CID 76507098
tris(1-methyl-4-propan-2-ylbenzene);dihydrochloride
CID 175503400
2-(4-methylphenyl)propyl formate
CID 54000579

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(4-methylphenyl)acetaldehyde?
The IUPAC name of 2,2-bis(4-methylphenyl)acetaldehyde (CID 10867935) is 2,2-bis(4-methylphenyl)acetaldehyde.
What is the SMILES notation for 2,2-bis(4-methylphenyl)acetaldehyde?
The canonical SMILES for 2,2-bis(4-methylphenyl)acetaldehyde is Cc1ccc(C(C=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 2,2-bis(4-methylphenyl)acetaldehyde?
The InChIKey is PZHPHPYDAHUQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O/c1-12-3-7-14(8-4-12)16(11-17)15-9-5-13(2)6-10-15/h3-11,16H,1-2H3.
What are the key properties of 2,2-bis(4-methylphenyl)acetaldehyde?
2,2-bis(4-methylphenyl)acetaldehyde has a molecular weight of 224.30 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(4-methylphenyl)acetaldehyde is sourced from PubChem (CID 10867935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).