2,3-bis(prop-2-enyl)benzoyl chloride

C13H13ClO — CID 87350245

IUPAC2,3-bis(prop-2-enyl)benzoyl chloride
SMILESC=CCc1cccc(C(=O)Cl)c1CC=C
InChIInChI=1S/C13H13ClO/c1-3-6-10-8-5-9-12(13(14)15)11(10)7-4-2/h3-5,8-9H,1-2,6-7H2
InChIKeyFISYEWKUQBAJQM-UHFFFAOYSA-N
MW220.70 g/mol
LogP3.52
Rot. Bonds5

About 2,3-bis(prop-2-enyl)benzoyl chloride

2,3-bis(prop-2-enyl)benzoyl chloride (PubChem CID 87350245) has the molecular formula C13H13ClO and a molecular weight of 220.70 g/mol. Its IUPAC name is 2,3-bis(prop-2-enyl)benzoyl chloride.

Molecular Properties

Compound Name2,3-bis(prop-2-enyl)benzoyl chloride
PubChem CID87350245
Molecular FormulaC13H13ClO
Molecular Weight220.70 g/mol
Exact Mass220.07
IUPAC Name2,3-bis(prop-2-enyl)benzoyl chloride
SMILESC=CCc1cccc(C(=O)Cl)c1CC=C
InChIInChI=1S/C13H13ClO/c1-3-6-10-8-5-9-12(13(14)15)11(10)7-4-2/h3-5,8-9H,1-2,6-7H2
InChIKeyFISYEWKUQBAJQM-UHFFFAOYSA-N
XLogP3.52
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[2,3-bis(prop-2-enyl)phenyl]ethanone
CID 173386054
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
azane;1-(chloromethyl)-2,3-bis(prop-2-enyl)benzene
CID 130386839
3,4-bis(prop-2-enyl)phthalic acid;phthalic acid
CID 175060882
2-prop-2-enoxybenzene-1,3-dicarbonyl chloride
CID 54419585
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-hydroxyphenyl)-(2-prop-2-enylphenyl)methanone
CID 70545684
2-amino-1-(2-prop-2-enylphenyl)ethanone
CID 69248800

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(prop-2-enyl)benzoyl chloride?
The IUPAC name of 2,3-bis(prop-2-enyl)benzoyl chloride (CID 87350245) is 2,3-bis(prop-2-enyl)benzoyl chloride.
What is the SMILES notation for 2,3-bis(prop-2-enyl)benzoyl chloride?
The canonical SMILES for 2,3-bis(prop-2-enyl)benzoyl chloride is C=CCc1cccc(C(=O)Cl)c1CC=C.
What is the InChIKey of 2,3-bis(prop-2-enyl)benzoyl chloride?
The InChIKey is FISYEWKUQBAJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClO/c1-3-6-10-8-5-9-12(13(14)15)11(10)7-4-2/h3-5,8-9H,1-2,6-7H2.
What are the key properties of 2,3-bis(prop-2-enyl)benzoyl chloride?
2,3-bis(prop-2-enyl)benzoyl chloride has a molecular weight of 220.70 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(prop-2-enyl)benzoyl chloride is sourced from PubChem (CID 87350245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).