2-methyl-3-(2-phenylpropan-2-yl)benzaldehyde

C17H18O — CID 141223238

IUPAC2-methyl-3-(2-phenylpropan-2-yl)benzaldehyde
SMILESCc1c(C=O)cccc1C(C)(C)c1ccccc1
InChIInChI=1S/C17H18O/c1-13-14(12-18)8-7-11-16(13)17(2,3)15-9-5-4-6-10-15/h4-12H,1-3H3
InChIKeyUJEUKZDRIQHCAH-UHFFFAOYSA-N
MW238.33 g/mol
LogP4.13
Rot. Bonds3

About 2-methyl-3-(2-phenylpropan-2-yl)benzaldehyde

2-methyl-3-(2-phenylpropan-2-yl)benzaldehyde (PubChem CID 141223238) has the molecular formula C17H18O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-methyl-3-(2-phenylpropan-2-yl)benzaldehyde.

Molecular Properties

Compound Name2-methyl-3-(2-phenylpropan-2-yl)benzaldehyde
PubChem CID141223238
Molecular FormulaC17H18O
Molecular Weight238.33 g/mol
Exact Mass238.14
IUPAC Name2-methyl-3-(2-phenylpropan-2-yl)benzaldehyde
SMILESCc1c(C=O)cccc1C(C)(C)c1ccccc1
InChIInChI=1S/C17H18O/c1-13-14(12-18)8-7-11-16(13)17(2,3)15-9-5-4-6-10-15/h4-12H,1-3H3
InChIKeyUJEUKZDRIQHCAH-UHFFFAOYSA-N
XLogP4.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-methyl-3-(2-phenylpropan-2-yl)benzaldehyde 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

5-tert-butyl-2-hydroxy-3-(2-phenylpropan-2-yl)benzaldehyde
CID 86722291
2-methoxy-3-tritylbenzaldehyde
CID 87578069
2-hydroxy-3-tritylbenzaldehyde
CID 18676816
3-(3-formyl-2-methylphenyl)-2-methylbenzaldehyde
CID 86188059
benzaldehyde;2,3-dimethylbenzaldehyde
CID 174844516
3-hydroxy-2-methylbenzaldehyde;phenol
CID 87138330
2-phenylpropan-2-ylbenzene
CID 13065
tritio-[4-[2-(2-tritiocarbonylphenyl)propan-2-yl]phenyl]methanone
CID 169322291
2-benzyl-1-methyl-3-(2-phenylpropan-2-yl)benzene
CID 173430654
2-(2-phenylpropan-2-yl)phenol;hydrate
CID 174697950
2,3-dimethylbenzaldehyde;hydrazine
CID 158628869
benzene;2-(2-phenylpropan-2-yl)phenol;hydrate
CID 174709888

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-phenylpropan-2-yl)benzaldehyde?
The IUPAC name of 2-methyl-3-(2-phenylpropan-2-yl)benzaldehyde (CID 141223238) is 2-methyl-3-(2-phenylpropan-2-yl)benzaldehyde.
What is the SMILES notation for 2-methyl-3-(2-phenylpropan-2-yl)benzaldehyde?
The canonical SMILES for 2-methyl-3-(2-phenylpropan-2-yl)benzaldehyde is Cc1c(C=O)cccc1C(C)(C)c1ccccc1.
What is the InChIKey of 2-methyl-3-(2-phenylpropan-2-yl)benzaldehyde?
The InChIKey is UJEUKZDRIQHCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O/c1-13-14(12-18)8-7-11-16(13)17(2,3)15-9-5-4-6-10-15/h4-12H,1-3H3.
What are the key properties of 2-methyl-3-(2-phenylpropan-2-yl)benzaldehyde?
2-methyl-3-(2-phenylpropan-2-yl)benzaldehyde has a molecular weight of 238.33 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-phenylpropan-2-yl)benzaldehyde is sourced from PubChem (CID 141223238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).