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

C14H16O — CID 173386054

IUPAC1-[2,3-bis(prop-2-enyl)phenyl]ethanone
SMILESC=CCc1cccc(C(C)=O)c1CC=C
InChIInChI=1S/C14H16O/c1-4-7-12-9-6-10-13(11(3)15)14(12)8-5-2/h4-6,9-10H,1-2,7-8H2,3H3
InChIKeyJIOXTCCXPCVTFD-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.35
Rot. Bonds5

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

1-[2,3-bis(prop-2-enyl)phenyl]ethanone (PubChem CID 173386054) has the molecular formula C14H16O and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-[2,3-bis(prop-2-enyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2,3-bis(prop-2-enyl)phenyl]ethanone
PubChem CID173386054
Molecular FormulaC14H16O
Molecular Weight200.28 g/mol
Exact Mass200.12
IUPAC Name1-[2,3-bis(prop-2-enyl)phenyl]ethanone
SMILESC=CCc1cccc(C(C)=O)c1CC=C
InChIInChI=1S/C14H16O/c1-4-7-12-9-6-10-13(11(3)15)14(12)8-5-2/h4-6,9-10H,1-2,7-8H2,3H3
InChIKeyJIOXTCCXPCVTFD-UHFFFAOYSA-N
XLogP3.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.35
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

2,3-bis(prop-2-enyl)benzoyl chloride
CID 87350245
1-[3-(methoxymethoxy)-2-prop-2-enylphenyl]ethanone
CID 20590669
2-prop-2-enylbenzoic acid
CID 2752991
1-[[2,3-bis(prop-2-enyl)phenyl]methyl]-2,3-bis(prop-2-enyl)benzene
CID 70536886
2-prop-2-enylbenzene-1,3-dicarboxamide
CID 67682969
3-amino-2-prop-2-enylbenzoic acid
CID 66692931
1-[2-ethenyl-3-(hydroxymethyl)phenyl]ethanone
CID 161129842
3,4-bis(prop-2-enyl)phthalic acid;phthalic acid
CID 175060882
aluminum tris(2-prop-2-enylbenzoate)
CID 70137738
methyl 2-chloro-3-prop-2-enylbenzoate
CID 174461758
ethyl 2-hydroxy-3-prop-2-enylbenzoate
CID 71331435
2-(2-tert-butyl-3-prop-2-enylphenyl)-2-oxoacetic acid
CID 70313818

Frequently Asked Questions

What is the IUPAC name of 1-[2,3-bis(prop-2-enyl)phenyl]ethanone?
The IUPAC name of 1-[2,3-bis(prop-2-enyl)phenyl]ethanone (CID 173386054) is 1-[2,3-bis(prop-2-enyl)phenyl]ethanone.
What is the SMILES notation for 1-[2,3-bis(prop-2-enyl)phenyl]ethanone?
The canonical SMILES for 1-[2,3-bis(prop-2-enyl)phenyl]ethanone is C=CCc1cccc(C(C)=O)c1CC=C.
What is the InChIKey of 1-[2,3-bis(prop-2-enyl)phenyl]ethanone?
The InChIKey is JIOXTCCXPCVTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O/c1-4-7-12-9-6-10-13(11(3)15)14(12)8-5-2/h4-6,9-10H,1-2,7-8H2,3H3.
What are the key properties of 1-[2,3-bis(prop-2-enyl)phenyl]ethanone?
1-[2,3-bis(prop-2-enyl)phenyl]ethanone has a molecular weight of 200.28 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,3-bis(prop-2-enyl)phenyl]ethanone is sourced from PubChem (CID 173386054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).