2-methyl-3-(4-propan-2-ylphenyl)propanal

C13H18O — CID 517827

IUPAC2-methyl-3-(4-propan-2-ylphenyl)propanal
SMILESCC(C=O)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C13H18O/c1-10(2)13-6-4-12(5-7-13)8-11(3)9-14/h4-7,9-11H,8H2,1-3H3
InChIKeyZFNVDHOSLNRHNN-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.19
Rot. Bonds4

About 2-methyl-3-(4-propan-2-ylphenyl)propanal

2-methyl-3-(4-propan-2-ylphenyl)propanal (PubChem CID 517827) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-methyl-3-(4-propan-2-ylphenyl)propanal.

Molecular Properties

Compound Name2-methyl-3-(4-propan-2-ylphenyl)propanal
PubChem CID517827
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name2-methyl-3-(4-propan-2-ylphenyl)propanal
SMILESCC(C=O)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C13H18O/c1-10(2)13-6-4-12(5-7-13)8-11(3)9-14/h4-7,9-11H,8H2,1-3H3
InChIKeyZFNVDHOSLNRHNN-UHFFFAOYSA-N
XLogP3.19
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.19
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

3-[4-(dihydroxymethyl)phenyl]-2-methylpropanal
CID 57470357
2-methyl-4-(4-propan-2-ylphenyl)butanal
CID 64665585
ethane;2-methyl-3-(4-methylphenyl)propanal
CID 142479337
2-benzyl-3-(4-propan-2-ylphenyl)propanal
CID 170555574
2-methyl-3-(4-trimethylsilylphenyl)propanal
CID 16664989
2-methyl-3-(4-propan-2-yloxyphenyl)propanal
CID 20575607
1,1-dimethoxyethane;2-methyl-3-[4-(2-methylpropyl)phenyl]propanal
CID 87383170
4-[(2S)-2-methyl-3-oxopropyl]benzamide
CID 143055288
1-(2-bromopropyl)-4-propan-2-ylbenzene
CID 82254877
ethane;methane;1-(2-methylpropyl)-4-propan-2-ylbenzene
CID 144724990
methyl 4-(2-methyl-3-oxopropyl)benzoate
CID 71336358
2-(4-methylphenyl)acetaldehyde;3-methyl-1-phenylpentan-3-ol;2-methyl-3-(4-propan-2-ylphenyl)propanal
CID 159857571

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4-propan-2-ylphenyl)propanal?
The IUPAC name of 2-methyl-3-(4-propan-2-ylphenyl)propanal (CID 517827) is 2-methyl-3-(4-propan-2-ylphenyl)propanal.
What is the SMILES notation for 2-methyl-3-(4-propan-2-ylphenyl)propanal?
The canonical SMILES for 2-methyl-3-(4-propan-2-ylphenyl)propanal is CC(C=O)Cc1ccc(C(C)C)cc1.
What is the InChIKey of 2-methyl-3-(4-propan-2-ylphenyl)propanal?
The InChIKey is ZFNVDHOSLNRHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-10(2)13-6-4-12(5-7-13)8-11(3)9-14/h4-7,9-11H,8H2,1-3H3.
What are the key properties of 2-methyl-3-(4-propan-2-ylphenyl)propanal?
2-methyl-3-(4-propan-2-ylphenyl)propanal has a molecular weight of 190.29 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-propan-2-ylphenyl)propanal is sourced from PubChem (CID 517827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).