2-ethylbenzene-1,4-dicarbonyl chloride

C10H8Cl2O2 — CID 19915511

IUPAC2-ethylbenzene-1,4-dicarbonyl chloride
SMILESCCc1cc(C(=O)Cl)ccc1C(=O)Cl
InChIInChI=1S/C10H8Cl2O2/c1-2-6-5-7(9(11)13)3-4-8(6)10(12)14/h3-5H,2H2,1H3
InChIKeyOAQDGPVUTSIGID-UHFFFAOYSA-N
MW231.08 g/mol
LogP3.01
Rot. Bonds3

About 2-ethylbenzene-1,4-dicarbonyl chloride

2-ethylbenzene-1,4-dicarbonyl chloride (PubChem CID 19915511) has the molecular formula C10H8Cl2O2 and a molecular weight of 231.08 g/mol. Its IUPAC name is 2-ethylbenzene-1,4-dicarbonyl chloride.

Molecular Properties

Compound Name2-ethylbenzene-1,4-dicarbonyl chloride
PubChem CID19915511
Molecular FormulaC10H8Cl2O2
Molecular Weight231.08 g/mol
Exact Mass229.99
IUPAC Name2-ethylbenzene-1,4-dicarbonyl chloride
SMILESCCc1cc(C(=O)Cl)ccc1C(=O)Cl
InChIInChI=1S/C10H8Cl2O2/c1-2-6-5-7(9(11)13)3-4-8(6)10(12)14/h3-5H,2H2,1H3
InChIKeyOAQDGPVUTSIGID-UHFFFAOYSA-N
XLogP3.01
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.08
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromobenzene-1,4-dicarbonyl chloride
CID 13431541
2-propan-2-ylbenzene-1,4-dicarbonyl chloride
CID 139767671
methyl 2,5-dicarbonochloridoylbenzoate
CID 54490915
bis(2-ethyl-4-prop-1-en-2-ylphenyl)methanone
CID 54475373
4-carbonochloridoylphthalic acid
CID 15105982
4-chloro-2-propylbenzoyl chloride
CID 141018159
4-[(4-carbonochloridoylphenyl)methyl]-2-methylbenzoyl chloride
CID 89320746
4-bromobenzene-1,3-dicarbonyl chloride
CID 13040870
4-fluorobenzene-1,3-dicarbonyl chloride
CID 21419886
2-ethylpyridine-4-carbonyl chloride
CID 45081393
methyl 4-carbonochloridoyl-2-methylbenzoate
CID 141487555
ethane;3-(methoxymethyl)-4-methylbenzoyl chloride
CID 143136390

Frequently Asked Questions

What is the IUPAC name of 2-ethylbenzene-1,4-dicarbonyl chloride?
The IUPAC name of 2-ethylbenzene-1,4-dicarbonyl chloride (CID 19915511) is 2-ethylbenzene-1,4-dicarbonyl chloride.
What is the SMILES notation for 2-ethylbenzene-1,4-dicarbonyl chloride?
The canonical SMILES for 2-ethylbenzene-1,4-dicarbonyl chloride is CCc1cc(C(=O)Cl)ccc1C(=O)Cl.
What is the InChIKey of 2-ethylbenzene-1,4-dicarbonyl chloride?
The InChIKey is OAQDGPVUTSIGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2O2/c1-2-6-5-7(9(11)13)3-4-8(6)10(12)14/h3-5H,2H2,1H3.
What are the key properties of 2-ethylbenzene-1,4-dicarbonyl chloride?
2-ethylbenzene-1,4-dicarbonyl chloride has a molecular weight of 231.08 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylbenzene-1,4-dicarbonyl chloride is sourced from PubChem (CID 19915511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).