2-[(4-propan-2-ylphenyl)methylidene]butanal

C14H18O — CID 79014775

IUPAC2-[(4-propan-2-ylphenyl)methylidene]butanal
SMILESCCC(C=O)=Cc1ccc(C(C)C)cc1
InChIInChI=1S/C14H18O/c1-4-12(10-15)9-13-5-7-14(8-6-13)11(2)3/h5-11H,4H2,1-3H3
InChIKeyBSSXFZKIXNEZER-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.80
Rot. Bonds4

About 2-[(4-propan-2-ylphenyl)methylidene]butanal

2-[(4-propan-2-ylphenyl)methylidene]butanal (PubChem CID 79014775) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-[(4-propan-2-ylphenyl)methylidene]butanal.

Molecular Properties

Compound Name2-[(4-propan-2-ylphenyl)methylidene]butanal
PubChem CID79014775
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name2-[(4-propan-2-ylphenyl)methylidene]butanal
SMILESCCC(C=O)=Cc1ccc(C(C)C)cc1
InChIInChI=1S/C14H18O/c1-4-12(10-15)9-13-5-7-14(8-6-13)11(2)3/h5-11H,4H2,1-3H3
InChIKeyBSSXFZKIXNEZER-UHFFFAOYSA-N
XLogP3.80
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2E)-2-[(4-hydroxyphenyl)methylidene]butanal
CID 82111399
2-[(4-methylsulfanylphenyl)methylidene]butanal
CID 79331111
4-propan-2-ylbenzaldehyde
CID 326
N-(2-methylpropyl)-2-[(4-propan-2-ylphenyl)methylidene]butan-1-amine
CID 79330140
(2E)-2-[(4-propan-2-ylphenyl)methylidene]pentanedioic acid
CID 94770615
1-[2-(bromomethyl)-3-methylbut-1-enyl]-4-propan-2-ylbenzene
CID 79322960
2-[(4-methoxy-3-methylphenyl)methylidene]butanal
CID 79334147
(Z)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoic acid
CID 2461727
2-[(1-propylpyrrol-3-yl)methylidene]butanal
CID 79335761
ethane;iodomethane;4-propan-2-ylbenzaldehyde
CID 145474217
dipropan-2-yl 2-[(4-propan-2-ylphenyl)methylidene]propanedioate
CID 170549900
(Z)-3-methyl-4-(4-propan-2-ylphenyl)but-3-en-2-amine
CID 103091821

Frequently Asked Questions

What is the IUPAC name of 2-[(4-propan-2-ylphenyl)methylidene]butanal?
The IUPAC name of 2-[(4-propan-2-ylphenyl)methylidene]butanal (CID 79014775) is 2-[(4-propan-2-ylphenyl)methylidene]butanal.
What is the SMILES notation for 2-[(4-propan-2-ylphenyl)methylidene]butanal?
The canonical SMILES for 2-[(4-propan-2-ylphenyl)methylidene]butanal is CCC(C=O)=Cc1ccc(C(C)C)cc1.
What is the InChIKey of 2-[(4-propan-2-ylphenyl)methylidene]butanal?
The InChIKey is BSSXFZKIXNEZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-4-12(10-15)9-13-5-7-14(8-6-13)11(2)3/h5-11H,4H2,1-3H3.
What are the key properties of 2-[(4-propan-2-ylphenyl)methylidene]butanal?
2-[(4-propan-2-ylphenyl)methylidene]butanal has a molecular weight of 202.30 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-propan-2-ylphenyl)methylidene]butanal is sourced from PubChem (CID 79014775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).