1-(4-ethenylphenyl)pentan-3-one

C13H16O — CID 20804902

IUPAC1-(4-ethenylphenyl)pentan-3-one
SMILESC=Cc1ccc(CCC(=O)CC)cc1
InChIInChI=1S/C13H16O/c1-3-11-5-7-12(8-6-11)9-10-13(14)4-2/h3,5-8H,1,4,9-10H2,2H3
InChIKeyVJDNGYIOVMKYGY-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.24
Rot. Bonds5

About 1-(4-ethenylphenyl)pentan-3-one

1-(4-ethenylphenyl)pentan-3-one (PubChem CID 20804902) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-(4-ethenylphenyl)pentan-3-one.

Molecular Properties

Compound Name1-(4-ethenylphenyl)pentan-3-one
PubChem CID20804902
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name1-(4-ethenylphenyl)pentan-3-one
SMILESC=Cc1ccc(CCC(=O)CC)cc1
InChIInChI=1S/C13H16O/c1-3-11-5-7-12(8-6-11)9-10-13(14)4-2/h3,5-8H,1,4,9-10H2,2H3
InChIKeyVJDNGYIOVMKYGY-UHFFFAOYSA-N
XLogP3.24
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-phenylphenyl)pentan-3-one
CID 58444061
methanamine;1-phenylpentan-3-one
CID 167492251
1-(4-ethenylphenyl)propan-2-one
CID 70398942
1-(3,4-dihydroxyphenyl)pentan-3-one
CID 145234678
1-ethenyl-4-nonylbenzene;1-ethenyl-4-octylbenzene
CID 22646096
1-ethenyl-4-hexylbenzene
CID 21225742
2-(4-ethenylphenyl)-N-ethylethanamine
CID 20507043
1,4-bis(ethenyl)benzene;ethenyl propanoate
CID 174939231
2-(4-ethenylphenyl)ethyl prop-2-enoate
CID 163299720
4-[5-(4-cyanophenyl)-3-oxopentyl]benzonitrile;pentan-3-one
CID 174780528
3-[2-(4-ethenylphenyl)ethylcarbamoylamino]propanoic acid
CID 122014946
1-ethenyl-4-(2-methoxyethyl)benzene
CID 66598261

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethenylphenyl)pentan-3-one?
The IUPAC name of 1-(4-ethenylphenyl)pentan-3-one (CID 20804902) is 1-(4-ethenylphenyl)pentan-3-one.
What is the SMILES notation for 1-(4-ethenylphenyl)pentan-3-one?
The canonical SMILES for 1-(4-ethenylphenyl)pentan-3-one is C=Cc1ccc(CCC(=O)CC)cc1.
What is the InChIKey of 1-(4-ethenylphenyl)pentan-3-one?
The InChIKey is VJDNGYIOVMKYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O/c1-3-11-5-7-12(8-6-11)9-10-13(14)4-2/h3,5-8H,1,4,9-10H2,2H3.
What are the key properties of 1-(4-ethenylphenyl)pentan-3-one?
1-(4-ethenylphenyl)pentan-3-one has a molecular weight of 188.27 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethenylphenyl)pentan-3-one is sourced from PubChem (CID 20804902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).