4-[4-(2-methylpropyl)phenyl]but-3-enal

C14H18O — CID 170482081

IUPAC4-[4-(2-methylpropyl)phenyl]but-3-enal
SMILESCC(C)Cc1ccc(C=CCC=O)cc1
InChIInChI=1S/C14H18O/c1-12(2)11-14-8-6-13(7-9-14)5-3-4-10-15/h3,5-10,12H,4,11H2,1-2H3
InChIKeyIWHKWTNWUDZDTG-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.49
Rot. Bonds5

About 4-[4-(2-methylpropyl)phenyl]but-3-enal

4-[4-(2-methylpropyl)phenyl]but-3-enal (PubChem CID 170482081) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 4-[4-(2-methylpropyl)phenyl]but-3-enal.

Molecular Properties

Compound Name4-[4-(2-methylpropyl)phenyl]but-3-enal
PubChem CID170482081
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name4-[4-(2-methylpropyl)phenyl]but-3-enal
SMILESCC(C)Cc1ccc(C=CCC=O)cc1
InChIInChI=1S/C14H18O/c1-12(2)11-14-8-6-13(7-9-14)5-3-4-10-15/h3,5-10,12H,4,11H2,1-2H3
InChIKeyIWHKWTNWUDZDTG-UHFFFAOYSA-N
XLogP3.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.49
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

1-(2-methylpropyl)-4-[(Z)-prop-1-enyl]benzene
CID 142899805
1-(2-methylpropyl)-4-[2-[2-[4-(2-methylpropyl)phenyl]ethenylsulfonyl]ethenyl]benzene
CID 139796540
[(E)-3-[4-(2-methylpropyl)phenyl]prop-2-enyl] acetate
CID 118260411
4-(4-oxobut-1-enyl)benzaldehyde
CID 170481464
1-ethenyl-4-(2-methylpropyl)benzene;propanal
CID 157417847
[(E)-3-[4-[(E)-2-[4-(2-methylpropyl)phenyl]ethenyl]phenyl]prop-2-enyl] 2-methylpropanoate
CID 159247460
1-(3-azidoprop-1-enyl)-4-(2-methylpropyl)benzene
CID 169461946
(E)-1-[4-(2-methylpropyl)phenyl]-3-[4-[(E)-3-[4-(2-methylpropyl)phenyl]-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
CID 21040458
methyl 3-[4-(2-methylpropyl)phenyl]prop-2-enoate
CID 139892632
1-[(E)-4,4-bis(benzenesulfonyl)-4-fluorobut-1-enyl]-4-(2-methylpropyl)benzene
CID 135071138
1-(2-methylpropyl)-4-(3-phenylbut-1-enyl)benzene
CID 162348170
1-(2-methylpropyl)-4-[4-(2-methylpropyl)phenyl]sulfinylbenzene
CID 139793494

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methylpropyl)phenyl]but-3-enal?
The IUPAC name of 4-[4-(2-methylpropyl)phenyl]but-3-enal (CID 170482081) is 4-[4-(2-methylpropyl)phenyl]but-3-enal.
What is the SMILES notation for 4-[4-(2-methylpropyl)phenyl]but-3-enal?
The canonical SMILES for 4-[4-(2-methylpropyl)phenyl]but-3-enal is CC(C)Cc1ccc(C=CCC=O)cc1.
What is the InChIKey of 4-[4-(2-methylpropyl)phenyl]but-3-enal?
The InChIKey is IWHKWTNWUDZDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-12(2)11-14-8-6-13(7-9-14)5-3-4-10-15/h3,5-10,12H,4,11H2,1-2H3.
What are the key properties of 4-[4-(2-methylpropyl)phenyl]but-3-enal?
4-[4-(2-methylpropyl)phenyl]but-3-enal has a molecular weight of 202.30 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methylpropyl)phenyl]but-3-enal is sourced from PubChem (CID 170482081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).