1-(4-ethenoxyphenyl)butan-1-one

C12H14O2 — CID 151638835

IUPAC1-(4-ethenoxyphenyl)butan-1-one
SMILESC=COc1ccc(C(=O)CCC)cc1
InChIInChI=1S/C12H14O2/c1-3-5-12(13)10-6-8-11(9-7-10)14-4-2/h4,6-9H,2-3,5H2,1H3
InChIKeyQSCBACNIZOMEMR-UHFFFAOYSA-N
MW190.24 g/mol
LogP3.19
Rot. Bonds5

About 1-(4-ethenoxyphenyl)butan-1-one

1-(4-ethenoxyphenyl)butan-1-one (PubChem CID 151638835) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 1-(4-ethenoxyphenyl)butan-1-one.

Molecular Properties

Compound Name1-(4-ethenoxyphenyl)butan-1-one
PubChem CID151638835
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name1-(4-ethenoxyphenyl)butan-1-one
SMILESC=COc1ccc(C(=O)CCC)cc1
InChIInChI=1S/C12H14O2/c1-3-5-12(13)10-6-8-11(9-7-10)14-4-2/h4,6-9H,2-3,5H2,1H3
InChIKeyQSCBACNIZOMEMR-UHFFFAOYSA-N
XLogP3.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 1-(4-ethenoxyphenyl)butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-methoxyphenyl)butan-1-one;hydrochloride
CID 162084347
1-(4-ethenoxyphenyl)ethanone
CID 14448263
4-ethenoxybenzamide
CID 66368618
1-(6-butanoylnaphthalen-2-yl)butan-1-one
CID 170450514
1,4-bis(ethenoxy)benzene;ethane
CID 145326219
formaldehyde;1-(4-propylphenyl)butan-1-one
CID 143969560
1-phenylbutan-1-one
CID 10315
1-[4-[(4-methoxyphenyl)methoxy]phenyl]butan-1-one
CID 134129695
1-phenylbutan-1-one;hydrobromide
CID 139638507
1-[4-(2-methylbut-3-en-2-yloxy)phenyl]heptan-1-one
CID 139638747
(4-propanoylphenyl) prop-2-enoate
CID 86070287
1-[4-(4-octadecanoylphenoxy)phenyl]octadecan-1-one
CID 71345622

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethenoxyphenyl)butan-1-one?
The IUPAC name of 1-(4-ethenoxyphenyl)butan-1-one (CID 151638835) is 1-(4-ethenoxyphenyl)butan-1-one.
What is the SMILES notation for 1-(4-ethenoxyphenyl)butan-1-one?
The canonical SMILES for 1-(4-ethenoxyphenyl)butan-1-one is C=COc1ccc(C(=O)CCC)cc1.
What is the InChIKey of 1-(4-ethenoxyphenyl)butan-1-one?
The InChIKey is QSCBACNIZOMEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-3-5-12(13)10-6-8-11(9-7-10)14-4-2/h4,6-9H,2-3,5H2,1H3.
What are the key properties of 1-(4-ethenoxyphenyl)butan-1-one?
1-(4-ethenoxyphenyl)butan-1-one has a molecular weight of 190.24 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethenoxyphenyl)butan-1-one is sourced from PubChem (CID 151638835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).