4-cyclopropyl-2-ethoxybenzoyl chloride

C12H13ClO2 — CID 86612889

IUPAC4-cyclopropyl-2-ethoxybenzoyl chloride
SMILESCCOc1cc(C2CC2)ccc1C(=O)Cl
InChIInChI=1S/C12H13ClO2/c1-2-15-11-7-9(8-3-4-8)5-6-10(11)12(13)14/h5-8H,2-4H2,1H3
InChIKeyZFHDLPHVFXGMMB-UHFFFAOYSA-N
MW224.69 g/mol
LogP3.34
Rot. Bonds4

About 4-cyclopropyl-2-ethoxybenzoyl chloride

4-cyclopropyl-2-ethoxybenzoyl chloride (PubChem CID 86612889) has the molecular formula C12H13ClO2 and a molecular weight of 224.69 g/mol. Its IUPAC name is 4-cyclopropyl-2-ethoxybenzoyl chloride.

Molecular Properties

Compound Name4-cyclopropyl-2-ethoxybenzoyl chloride
PubChem CID86612889
Molecular FormulaC12H13ClO2
Molecular Weight224.69 g/mol
Exact Mass224.06
IUPAC Name4-cyclopropyl-2-ethoxybenzoyl chloride
SMILESCCOc1cc(C2CC2)ccc1C(=O)Cl
InChIInChI=1S/C12H13ClO2/c1-2-15-11-7-9(8-3-4-8)5-6-10(11)12(13)14/h5-8H,2-4H2,1H3
InChIKeyZFHDLPHVFXGMMB-UHFFFAOYSA-N
XLogP3.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 53.34
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

methyl 5-bromo-4-cyclopropyl-2-ethoxybenzoate;methyl 4-cyclopropyl-2-ethoxybenzoate
CID 158143145
4-(3,4-diethoxyphenyl)cyclohexan-1-ol
CID 116989261
2-ethoxy-4-ethylsulfonylbenzoyl chloride
CID 86612892
4-cyclopropyl-2-phenylmethoxybenzoic acid
CID 162369981
4-cyclopentyl-2-ethoxy-N-[(E)-3-methylsulfonylprop-2-enyl]benzamide
CID 170718007
6-ethoxytricyclo[6.2.1.02,7]undeca-2,4,6-triene-3-carboxamide
CID 143061047
2-fluoro-4-(4-pentylcyclohexyl)benzoyl chloride
CID 54397331
(3-carbonochloridoyl-4-ethoxyphenyl) acetate
CID 139652500
ethyl 2-(5-cyclopentyl-2-methoxyphenyl)-2-hydroxyacetate
CID 117446205
1-[4-ethoxy-3-fluoro-2-(trifluoromethyl)phenyl]-2-[4-(4-methylcyclohexyl)phenyl]ethanone
CID 118287217
4-cyclopropyl-2-(cyclopropylmethoxy)-1-propan-2-ylbenzene
CID 168725011
4-chloro-2-ethoxybenzamide
CID 126998915

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-ethoxybenzoyl chloride?
The IUPAC name of 4-cyclopropyl-2-ethoxybenzoyl chloride (CID 86612889) is 4-cyclopropyl-2-ethoxybenzoyl chloride.
What is the SMILES notation for 4-cyclopropyl-2-ethoxybenzoyl chloride?
The canonical SMILES for 4-cyclopropyl-2-ethoxybenzoyl chloride is CCOc1cc(C2CC2)ccc1C(=O)Cl.
What is the InChIKey of 4-cyclopropyl-2-ethoxybenzoyl chloride?
The InChIKey is ZFHDLPHVFXGMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClO2/c1-2-15-11-7-9(8-3-4-8)5-6-10(11)12(13)14/h5-8H,2-4H2,1H3.
What are the key properties of 4-cyclopropyl-2-ethoxybenzoyl chloride?
4-cyclopropyl-2-ethoxybenzoyl chloride has a molecular weight of 224.69 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-ethoxybenzoyl chloride is sourced from PubChem (CID 86612889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).