4-(4-but-3-enylphenyl)butan-2-one

C14H18O — CID 102388020

IUPAC4-(4-but-3-enylphenyl)butan-2-one
SMILESC=CCCc1ccc(CCC(C)=O)cc1
InChIInChI=1S/C14H18O/c1-3-4-5-13-8-10-14(11-9-13)7-6-12(2)15/h3,8-11H,1,4-7H2,2H3
InChIKeyGOYKLIVQGMNEOO-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.33
Rot. Bonds6

About 4-(4-but-3-enylphenyl)butan-2-one

4-(4-but-3-enylphenyl)butan-2-one (PubChem CID 102388020) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 4-(4-but-3-enylphenyl)butan-2-one.

Molecular Properties

Compound Name4-(4-but-3-enylphenyl)butan-2-one
PubChem CID102388020
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name4-(4-but-3-enylphenyl)butan-2-one
SMILESC=CCCc1ccc(CCC(C)=O)cc1
InChIInChI=1S/C14H18O/c1-3-4-5-13-8-10-14(11-9-13)7-6-12(2)15/h3,8-11H,1,4-7H2,2H3
InChIKeyGOYKLIVQGMNEOO-UHFFFAOYSA-N
XLogP3.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
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

4-phenylbutan-2-one;prop-1-ene
CID 166128425
ethane;4-(4-methylphenyl)butan-2-one
CID 142847870
iodo 4-but-3-enylbenzoate
CID 163491431
4-(4-bromophenyl)butan-2-one;ethane
CID 142922881
4-(4-hexylphenyl)butan-2-one
CID 67820742
1,4-bis[(E)-2-(4-but-3-enylphenyl)ethenyl]benzene
CID 19780599
4-[4-(2-methylprop-2-enoxy)phenyl]butan-2-one
CID 24695398
4-(4-ethylsulfanylphenyl)butan-2-one
CID 96657765
4-[4-[(7E)-7-hydroxyiminoheptoxy]phenyl]butan-2-one
CID 24899892
4-(4-propan-2-yloxyphenyl)butan-2-one
CID 24710648
2-amino-3-[4-(3-oxobutyl)phenyl]propanoic acid
CID 59658427
phenol;4-phenylbutan-2-one
CID 160537429

Frequently Asked Questions

What is the IUPAC name of 4-(4-but-3-enylphenyl)butan-2-one?
The IUPAC name of 4-(4-but-3-enylphenyl)butan-2-one (CID 102388020) is 4-(4-but-3-enylphenyl)butan-2-one.
What is the SMILES notation for 4-(4-but-3-enylphenyl)butan-2-one?
The canonical SMILES for 4-(4-but-3-enylphenyl)butan-2-one is C=CCCc1ccc(CCC(C)=O)cc1.
What is the InChIKey of 4-(4-but-3-enylphenyl)butan-2-one?
The InChIKey is GOYKLIVQGMNEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-3-4-5-13-8-10-14(11-9-13)7-6-12(2)15/h3,8-11H,1,4-7H2,2H3.
What are the key properties of 4-(4-but-3-enylphenyl)butan-2-one?
4-(4-but-3-enylphenyl)butan-2-one has a molecular weight of 202.30 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-but-3-enylphenyl)butan-2-one is sourced from PubChem (CID 102388020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).