2-methyl-4-(4-propan-2-ylphenyl)butanal

C14H20O — CID 64665585

IUPAC2-methyl-4-(4-propan-2-ylphenyl)butanal
SMILESCC(C=O)CCc1ccc(C(C)C)cc1
InChIInChI=1S/C14H20O/c1-11(2)14-8-6-13(7-9-14)5-4-12(3)10-15/h6-12H,4-5H2,1-3H3
InChIKeyNTJVFOHKQGGOLY-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.58
Rot. Bonds5

About 2-methyl-4-(4-propan-2-ylphenyl)butanal

2-methyl-4-(4-propan-2-ylphenyl)butanal (PubChem CID 64665585) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 2-methyl-4-(4-propan-2-ylphenyl)butanal.

Molecular Properties

Compound Name2-methyl-4-(4-propan-2-ylphenyl)butanal
PubChem CID64665585
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name2-methyl-4-(4-propan-2-ylphenyl)butanal
SMILESCC(C=O)CCc1ccc(C(C)C)cc1
InChIInChI=1S/C14H20O/c1-11(2)14-8-6-13(7-9-14)5-4-12(3)10-15/h6-12H,4-5H2,1-3H3
InChIKeyNTJVFOHKQGGOLY-UHFFFAOYSA-N
XLogP3.58
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.58
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-methyl-3-(4-propan-2-ylphenyl)propanal
CID 517827
(2R)-4-(4-propan-2-ylphenyl)butan-2-amine
CID 40999647
1-(3-methylbutyl)-4-(4-propan-2-ylphenyl)benzene
CID 164757723
3,6-bis(4-propan-2-ylphenyl)hexanal
CID 175140451
2-methyl-4-thiophen-3-ylbutanal
CID 64664525
2-(2-propan-2-ylphenyl)propanal;3-(4-propan-2-ylphenyl)propanal
CID 129248961
2-benzyl-3-(4-propan-2-ylphenyl)propanal
CID 170555574
4-(3-methoxyphenyl)-2-methylbutanal
CID 64664101
2-methyl-4-(4-nitrosophenyl)butan-1-imine
CID 163974200
1-butyl-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;methane
CID 176687578
1-butyl-4-propan-2-ylbenzene;hexane
CID 142937575
(2-methyl-4-phenylbutylidene)-phosphanylphosphane
CID 89156817

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-propan-2-ylphenyl)butanal?
The IUPAC name of 2-methyl-4-(4-propan-2-ylphenyl)butanal (CID 64665585) is 2-methyl-4-(4-propan-2-ylphenyl)butanal.
What is the SMILES notation for 2-methyl-4-(4-propan-2-ylphenyl)butanal?
The canonical SMILES for 2-methyl-4-(4-propan-2-ylphenyl)butanal is CC(C=O)CCc1ccc(C(C)C)cc1.
What is the InChIKey of 2-methyl-4-(4-propan-2-ylphenyl)butanal?
The InChIKey is NTJVFOHKQGGOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-11(2)14-8-6-13(7-9-14)5-4-12(3)10-15/h6-12H,4-5H2,1-3H3.
What are the key properties of 2-methyl-4-(4-propan-2-ylphenyl)butanal?
2-methyl-4-(4-propan-2-ylphenyl)butanal has a molecular weight of 204.31 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-propan-2-ylphenyl)butanal is sourced from PubChem (CID 64665585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).