acetic acid;2-methyl-2,3-diphenylpropanal

C18H20O3 — CID 174946322

IUPACacetic acid;2-methyl-2,3-diphenylpropanal
SMILESCC(=O)O.CC(C=O)(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C16H16O.C2H4O2/c1-16(13-17,15-10-6-3-7-11-15)12-14-8-4-2-5-9-14;1-2(3)4/h2-11,13H,12H2,1H3;1H3,(H,3,4)
InChIKeyXQWNPFLJRPCOLM-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.48
Rot. Bonds4

About acetic acid;2-methyl-2,3-diphenylpropanal

acetic acid;2-methyl-2,3-diphenylpropanal (PubChem CID 174946322) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is acetic acid;2-methyl-2,3-diphenylpropanal.

Molecular Properties

Compound Nameacetic acid;2-methyl-2,3-diphenylpropanal
PubChem CID174946322
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Nameacetic acid;2-methyl-2,3-diphenylpropanal
SMILESCC(=O)O.CC(C=O)(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C16H16O.C2H4O2/c1-16(13-17,15-10-6-3-7-11-15)12-14-8-4-2-5-9-14;1-2(3)4/h2-11,13H,12H2,1H3;1H3,(H,3,4)
InChIKeyXQWNPFLJRPCOLM-UHFFFAOYSA-N
XLogP3.48
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze acetic acid;2-methyl-2,3-diphenylpropanal 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-hydroxy-2-methyl-2-phenylbutanal
CID 88582805
2-methyl-2-phenylbutanal;hydrochloride
CID 141064880
methyl 3-methyl-4-oxo-3-phenylbutanoate
CID 131854689
N-[(2R)-2-methyl-1-oxo-3-phenylpropan-2-yl]acetamide
CID 54371011
(Z)-but-2-enedioic acid;1,2-diphenylpropan-2-amine
CID 70041111
N-[2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-1-phenylpropan-2-yl]formamide
CID 10490565
(2S)-2-methyl-2-phenylpent-4-enal
CID 10866831
(2-methyl-1-oxo-3-phenylpropan-2-yl)carbamic acid
CID 87612069
(E)-4,4-dimethyl-5-phenylpent-2-enoic acid
CID 22261491
(2R)-2-hydroxy-2-methyl-3-phenylpropanamide
CID 11389739
(2R)-2-formamido-2-methyl-3-phenylpropanamide
CID 149178833
3,3-dibromo-4-phenylbutan-2-one
CID 20690158

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-methyl-2,3-diphenylpropanal?
The IUPAC name of acetic acid;2-methyl-2,3-diphenylpropanal (CID 174946322) is acetic acid;2-methyl-2,3-diphenylpropanal.
What is the SMILES notation for acetic acid;2-methyl-2,3-diphenylpropanal?
The canonical SMILES for acetic acid;2-methyl-2,3-diphenylpropanal is CC(=O)O.CC(C=O)(Cc1ccccc1)c1ccccc1.
What is the InChIKey of acetic acid;2-methyl-2,3-diphenylpropanal?
The InChIKey is XQWNPFLJRPCOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O.C2H4O2/c1-16(13-17,15-10-6-3-7-11-15)12-14-8-4-2-5-9-14;1-2(3)4/h2-11,13H,12H2,1H3;1H3,(H,3,4).
What are the key properties of acetic acid;2-methyl-2,3-diphenylpropanal?
acetic acid;2-methyl-2,3-diphenylpropanal has a molecular weight of 284.36 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-methyl-2,3-diphenylpropanal is sourced from PubChem (CID 174946322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).