1-[4-methoxy-3,5-bis(prop-2-enyl)phenyl]ethanone

C15H18O2 — CID 54517444

IUPAC1-[4-methoxy-3,5-bis(prop-2-enyl)phenyl]ethanone
SMILESC=CCc1cc(C(C)=O)cc(CC=C)c1OC
InChIInChI=1S/C15H18O2/c1-5-7-12-9-14(11(3)16)10-13(8-6-2)15(12)17-4/h5-6,9-10H,1-2,7-8H2,3-4H3
InChIKeyYNJNWIUGZVIZLW-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.35
Rot. Bonds6

About 1-[4-methoxy-3,5-bis(prop-2-enyl)phenyl]ethanone

1-[4-methoxy-3,5-bis(prop-2-enyl)phenyl]ethanone (PubChem CID 54517444) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-[4-methoxy-3,5-bis(prop-2-enyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-methoxy-3,5-bis(prop-2-enyl)phenyl]ethanone
PubChem CID54517444
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name1-[4-methoxy-3,5-bis(prop-2-enyl)phenyl]ethanone
SMILESC=CCc1cc(C(C)=O)cc(CC=C)c1OC
InChIInChI=1S/C15H18O2/c1-5-7-12-9-14(11(3)16)10-13(8-6-2)15(12)17-4/h5-6,9-10H,1-2,7-8H2,3-4H3
InChIKeyYNJNWIUGZVIZLW-UHFFFAOYSA-N
XLogP3.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methyl-3-prop-2-enylphenyl)ethanone
CID 143718324
3-methoxy-4-prop-2-enoxy-5-prop-2-enylbenzoic acid
CID 68685212
1-[4-[4-(3,4-dimethoxy-5-prop-2-enylbenzoyl)piperazin-1-yl]phenyl]ethanone
CID 27009194
acetic acid;2-methoxy-3-prop-2-enylphenol
CID 174703857
N-(2-acetylphenyl)-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 31842136
1-(4-pentoxy-3-prop-2-enylphenyl)ethanone
CID 54849741
4,6,8-tris(prop-2-enyl)naphthalene-2-carboxylic acid
CID 139984859
1-[3,4-dimethoxy-5-(methoxymethyl)phenyl]ethanone
CID 117321933
3,4-dimethoxy-N-(3-methylbutan-2-yl)-5-prop-2-enylbenzamide
CID 43035063
3,4-dimethoxy-N-(2-methylpropyl)-5-prop-2-enylbenzamide
CID 18106056
1-(3-amino-5-ethyl-4-methylphenyl)ethanone;ethane;3-methoxyprop-1-ene
CID 143173095
1-[4-(2-ethoxyethoxy)-3-prop-2-enylphenyl]ethanone
CID 54849524

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-3,5-bis(prop-2-enyl)phenyl]ethanone?
The IUPAC name of 1-[4-methoxy-3,5-bis(prop-2-enyl)phenyl]ethanone (CID 54517444) is 1-[4-methoxy-3,5-bis(prop-2-enyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-methoxy-3,5-bis(prop-2-enyl)phenyl]ethanone?
The canonical SMILES for 1-[4-methoxy-3,5-bis(prop-2-enyl)phenyl]ethanone is C=CCc1cc(C(C)=O)cc(CC=C)c1OC.
What is the InChIKey of 1-[4-methoxy-3,5-bis(prop-2-enyl)phenyl]ethanone?
The InChIKey is YNJNWIUGZVIZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-5-7-12-9-14(11(3)16)10-13(8-6-2)15(12)17-4/h5-6,9-10H,1-2,7-8H2,3-4H3.
What are the key properties of 1-[4-methoxy-3,5-bis(prop-2-enyl)phenyl]ethanone?
1-[4-methoxy-3,5-bis(prop-2-enyl)phenyl]ethanone has a molecular weight of 230.31 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-3,5-bis(prop-2-enyl)phenyl]ethanone is sourced from PubChem (CID 54517444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).