1-[4-[(E)-2-methylbut-2-enyl]phenyl]propan-2-one

C14H18O — CID 155748385

IUPAC1-[4-[(E)-2-methylbut-2-enyl]phenyl]propan-2-one
SMILESC/C=C(\C)Cc1ccc(CC(C)=O)cc1
InChIInChI=1S/C14H18O/c1-4-11(2)9-13-5-7-14(8-6-13)10-12(3)15/h4-8H,9-10H2,1-3H3/b11-4+
InChIKeyAXTZABZNAQPKII-NYYWCZLTSA-N
MW202.30 g/mol
LogP3.33
Rot. Bonds4

About 1-[4-[(E)-2-methylbut-2-enyl]phenyl]propan-2-one

1-[4-[(E)-2-methylbut-2-enyl]phenyl]propan-2-one (PubChem CID 155748385) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-[4-[(E)-2-methylbut-2-enyl]phenyl]propan-2-one.

Molecular Properties

Compound Name1-[4-[(E)-2-methylbut-2-enyl]phenyl]propan-2-one
PubChem CID155748385
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name1-[4-[(E)-2-methylbut-2-enyl]phenyl]propan-2-one
SMILESC/C=C(\C)Cc1ccc(CC(C)=O)cc1
InChIInChI=1S/C14H18O/c1-4-11(2)9-13-5-7-14(8-6-13)10-12(3)15/h4-8H,9-10H2,1-3H3/b11-4+
InChIKeyAXTZABZNAQPKII-NYYWCZLTSA-N
XLogP3.33
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 ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethenylphenyl)propan-2-one
CID 70398942
[(Z)-2-methylbut-2-enyl]benzene
CID 59870366
1-(4-hydroxyphenyl)propan-2-one
CID 7019274
1-ethenyl-4-(2-methylbut-2-enyl)benzene
CID 139941573
2-[4-(2-oxopropyl)phenyl]acetyl chloride
CID 145140807
1-[4-(iodomethyl)phenyl]propan-2-one
CID 20596365
1-[4-(fluoromethyl)phenyl]propan-2-one
CID 84652370
benzene;1-phenylpropan-2-one
CID 21430852
1-[4-[[4-[[4-(2-oxopropyl)phenyl]diazenyl]phenyl]diazenyl]phenyl]propan-2-one
CID 159970988
1-(4-propylphenyl)propan-2-one
CID 82490574
[4-(2-oxopropyl)phenyl]boronic acid
CID 74788275
ethane;3-methyl-1-[4-(2-oxopropyl)phenyl]butan-2-one
CID 162736960

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(E)-2-methylbut-2-enyl]phenyl]propan-2-one?
The IUPAC name of 1-[4-[(E)-2-methylbut-2-enyl]phenyl]propan-2-one (CID 155748385) is 1-[4-[(E)-2-methylbut-2-enyl]phenyl]propan-2-one.
What is the SMILES notation for 1-[4-[(E)-2-methylbut-2-enyl]phenyl]propan-2-one?
The canonical SMILES for 1-[4-[(E)-2-methylbut-2-enyl]phenyl]propan-2-one is C/C=C(\C)Cc1ccc(CC(C)=O)cc1.
What is the InChIKey of 1-[4-[(E)-2-methylbut-2-enyl]phenyl]propan-2-one?
The InChIKey is AXTZABZNAQPKII-NYYWCZLTSA-N. The full InChI is InChI=1S/C14H18O/c1-4-11(2)9-13-5-7-14(8-6-13)10-12(3)15/h4-8H,9-10H2,1-3H3/b11-4+.
What are the key properties of 1-[4-[(E)-2-methylbut-2-enyl]phenyl]propan-2-one?
1-[4-[(E)-2-methylbut-2-enyl]phenyl]propan-2-one has a molecular weight of 202.30 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(E)-2-methylbut-2-enyl]phenyl]propan-2-one is sourced from PubChem (CID 155748385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).