(3-carbonochloridoyl-2-ethenylphenyl) acetate

C11H9ClO3 — CID 153225829

IUPAC(3-carbonochloridoyl-2-ethenylphenyl) acetate
SMILESC=Cc1c(OC(C)=O)cccc1C(=O)Cl
InChIInChI=1S/C11H9ClO3/c1-3-8-9(11(12)14)5-4-6-10(8)15-7(2)13/h3-6H,1H2,2H3
InChIKeyWOORHCTUNQCRDY-UHFFFAOYSA-N
MW224.64 g/mol
LogP2.63
Rot. Bonds3

About (3-carbonochloridoyl-2-ethenylphenyl) acetate

(3-carbonochloridoyl-2-ethenylphenyl) acetate (PubChem CID 153225829) has the molecular formula C11H9ClO3 and a molecular weight of 224.64 g/mol. Its IUPAC name is (3-carbonochloridoyl-2-ethenylphenyl) acetate.

Molecular Properties

Compound Name(3-carbonochloridoyl-2-ethenylphenyl) acetate
PubChem CID153225829
Molecular FormulaC11H9ClO3
Molecular Weight224.64 g/mol
Exact Mass224.02
IUPAC Name(3-carbonochloridoyl-2-ethenylphenyl) acetate
SMILESC=Cc1c(OC(C)=O)cccc1C(=O)Cl
InChIInChI=1S/C11H9ClO3/c1-3-8-9(11(12)14)5-4-6-10(8)15-7(2)13/h3-6H,1H2,2H3
InChIKeyWOORHCTUNQCRDY-UHFFFAOYSA-N
XLogP2.63
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.64
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-[tert-butyl(dimethyl)silyl]oxy-2-ethenylphenyl] acetate
CID 102019933
(2-carbonochloridoylphenyl) 2-methylprop-2-enoate
CID 100943837
benzene;(2-ethenylphenyl) acetate
CID 175577038
2-ethenyl-3-methoxybenzamide
CID 177056846
(9-ethenylanthracen-1-yl) acetate
CID 87197961
2-acetyloxybenzoic acid;ethene
CID 67877309
methyl 3-acetyl-2-ethenylbenzoate
CID 162146545
O-(2-carbonochloridoylphenyl) ethanethioate
CID 154208486
3-acetyloxy-2-methylbenzoic acid
CID 3798557
[3-acetyloxy-2-[(E)-2-formamidoethenyl]phenyl] acetate
CID 19888919
3-acetyloxy-2-methylbenzoic acid;hydrochloride
CID 172770028
2,6-diacetyloxybenzoic acid
CID 10007406

Frequently Asked Questions

What is the IUPAC name of (3-carbonochloridoyl-2-ethenylphenyl) acetate?
The IUPAC name of (3-carbonochloridoyl-2-ethenylphenyl) acetate (CID 153225829) is (3-carbonochloridoyl-2-ethenylphenyl) acetate.
What is the SMILES notation for (3-carbonochloridoyl-2-ethenylphenyl) acetate?
The canonical SMILES for (3-carbonochloridoyl-2-ethenylphenyl) acetate is C=Cc1c(OC(C)=O)cccc1C(=O)Cl.
What is the InChIKey of (3-carbonochloridoyl-2-ethenylphenyl) acetate?
The InChIKey is WOORHCTUNQCRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClO3/c1-3-8-9(11(12)14)5-4-6-10(8)15-7(2)13/h3-6H,1H2,2H3.
What are the key properties of (3-carbonochloridoyl-2-ethenylphenyl) acetate?
(3-carbonochloridoyl-2-ethenylphenyl) acetate has a molecular weight of 224.64 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-carbonochloridoyl-2-ethenylphenyl) acetate is sourced from PubChem (CID 153225829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).