2-prop-2-enoxybenzene-1,3-dicarbonyl chloride

C11H8Cl2O3 — CID 54419585

IUPAC2-prop-2-enoxybenzene-1,3-dicarbonyl chloride
SMILESC=CCOc1c(C(=O)Cl)cccc1C(=O)Cl
InChIInChI=1S/C11H8Cl2O3/c1-2-6-16-9-7(10(12)14)4-3-5-8(9)11(13)15/h2-5H,1,6H2
InChIKeyVZVNQICOHZUNIW-UHFFFAOYSA-N
MW259.09 g/mol
LogP3.01
Rot. Bonds5

About 2-prop-2-enoxybenzene-1,3-dicarbonyl chloride

2-prop-2-enoxybenzene-1,3-dicarbonyl chloride (PubChem CID 54419585) has the molecular formula C11H8Cl2O3 and a molecular weight of 259.09 g/mol. Its IUPAC name is 2-prop-2-enoxybenzene-1,3-dicarbonyl chloride.

Molecular Properties

Compound Name2-prop-2-enoxybenzene-1,3-dicarbonyl chloride
PubChem CID54419585
Molecular FormulaC11H8Cl2O3
Molecular Weight259.09 g/mol
Exact Mass257.99
IUPAC Name2-prop-2-enoxybenzene-1,3-dicarbonyl chloride
SMILESC=CCOc1c(C(=O)Cl)cccc1C(=O)Cl
InChIInChI=1S/C11H8Cl2O3/c1-2-6-16-9-7(10(12)14)4-3-5-8(9)11(13)15/h2-5H,1,6H2
InChIKeyVZVNQICOHZUNIW-UHFFFAOYSA-N
XLogP3.01
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.09
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(3-chloro-2-prop-2-enoxyphenyl)ethanone
CID 82078008
bis(2-prop-2-enoxyphenyl)methanone
CID 54013636
2,3-bis(prop-2-enyl)benzoyl chloride
CID 87350245
1-(3-nitro-2-prop-2-enoxyphenyl)ethanone
CID 71490496
2-chloro-1-(2-prop-2-enoxyphenyl)ethanone
CID 12579607
2-ethoxy-3-methoxybenzoyl chloride
CID 21314777
naphthalene-1,4,5-tricarbonyl chloride
CID 139807498
2-prop-2-enoxybenzoic acid;hydrochloride
CID 70025071
2-prop-2-enoxybenzenecarboperoxoic acid
CID 88627610
bis(3-prop-2-enoxyphenyl) carbonate
CID 175530983
CID 70191473
CID 70191473
prop-2-enoic acid;prop-2-enoxybenzene
CID 174376278

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enoxybenzene-1,3-dicarbonyl chloride?
The IUPAC name of 2-prop-2-enoxybenzene-1,3-dicarbonyl chloride (CID 54419585) is 2-prop-2-enoxybenzene-1,3-dicarbonyl chloride.
What is the SMILES notation for 2-prop-2-enoxybenzene-1,3-dicarbonyl chloride?
The canonical SMILES for 2-prop-2-enoxybenzene-1,3-dicarbonyl chloride is C=CCOc1c(C(=O)Cl)cccc1C(=O)Cl.
What is the InChIKey of 2-prop-2-enoxybenzene-1,3-dicarbonyl chloride?
The InChIKey is VZVNQICOHZUNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2O3/c1-2-6-16-9-7(10(12)14)4-3-5-8(9)11(13)15/h2-5H,1,6H2.
What are the key properties of 2-prop-2-enoxybenzene-1,3-dicarbonyl chloride?
2-prop-2-enoxybenzene-1,3-dicarbonyl chloride has a molecular weight of 259.09 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enoxybenzene-1,3-dicarbonyl chloride is sourced from PubChem (CID 54419585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).