2-(2-methylphenyl)-2-phenylacetaldehyde

C15H14O — CID 76507098

IUPAC2-(2-methylphenyl)-2-phenylacetaldehyde
SMILESCc1ccccc1C(C=O)c1ccccc1
InChIInChI=1S/C15H14O/c1-12-7-5-6-10-14(12)15(11-16)13-8-3-2-4-9-13/h2-11,15H,1H3
InChIKeyNBERHAGGJROZTB-UHFFFAOYSA-N
MW210.28 g/mol
LogP3.33
Rot. Bonds3

About 2-(2-methylphenyl)-2-phenylacetaldehyde

2-(2-methylphenyl)-2-phenylacetaldehyde (PubChem CID 76507098) has the molecular formula C15H14O and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-(2-methylphenyl)-2-phenylacetaldehyde.

Molecular Properties

Compound Name2-(2-methylphenyl)-2-phenylacetaldehyde
PubChem CID76507098
Molecular FormulaC15H14O
Molecular Weight210.28 g/mol
Exact Mass210.10
IUPAC Name2-(2-methylphenyl)-2-phenylacetaldehyde
SMILESCc1ccccc1C(C=O)c1ccccc1
InChIInChI=1S/C15H14O/c1-12-7-5-6-10-14(12)15(11-16)13-8-3-2-4-9-13/h2-11,15H,1H3
InChIKeyNBERHAGGJROZTB-UHFFFAOYSA-N
XLogP3.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 53.33
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-(2-methylphenyl)-2-sulfanylacetaldehyde
CID 173459115
2-hydroxy-2-(2-methylphenyl)acetaldehyde
CID 22607874
[3-(2-methylphenyl)-3-phenylprop-1-enyl]-trimethylsilylphosphane
CID 67931640
2-(3-bromo-4-methylphenyl)-2-phenylacetaldehyde
CID 172604328
2-(2,6-dimethyl-4-pyridinyl)-2-phenylacetaldehyde
CID 87096774
1-[bromo(phenyl)methyl]-2-methylbenzene
CID 12875470
(2-methylphenyl)-phenylmethanamine
CID 15254157
3,3,3-trifluoro-2-(2-methylphenyl)propanal
CID 84776669
acetic acid;(2-methylphenyl)methanediol
CID 71361235
1-methyl-2-[[(2-methylphenyl)-phenylmethyl]sulfanyl-phenylmethyl]benzene
CID 141458564
2-[(2-methylphenyl)-phenylmethyl]-1,3-diphenylpropane-1,3-dione
CID 102532176
3,3-dimethoxy-2-(2-methylphenyl)-3-phenylpropanal
CID 174938822

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-2-phenylacetaldehyde?
The IUPAC name of 2-(2-methylphenyl)-2-phenylacetaldehyde (CID 76507098) is 2-(2-methylphenyl)-2-phenylacetaldehyde.
What is the SMILES notation for 2-(2-methylphenyl)-2-phenylacetaldehyde?
The canonical SMILES for 2-(2-methylphenyl)-2-phenylacetaldehyde is Cc1ccccc1C(C=O)c1ccccc1.
What is the InChIKey of 2-(2-methylphenyl)-2-phenylacetaldehyde?
The InChIKey is NBERHAGGJROZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O/c1-12-7-5-6-10-14(12)15(11-16)13-8-3-2-4-9-13/h2-11,15H,1H3.
What are the key properties of 2-(2-methylphenyl)-2-phenylacetaldehyde?
2-(2-methylphenyl)-2-phenylacetaldehyde has a molecular weight of 210.28 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-2-phenylacetaldehyde is sourced from PubChem (CID 76507098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).