(2-carbonochloridoylphenyl) 2-methylprop-2-enoate

C11H9ClO3 — CID 100943837

IUPAC(2-carbonochloridoylphenyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccccc1C(=O)Cl
InChIInChI=1S/C11H9ClO3/c1-7(2)11(14)15-9-6-4-3-5-8(9)10(12)13/h3-6H,1H2,2H3
InChIKeyFEWQJFRAXWVWSX-UHFFFAOYSA-N
MW224.64 g/mol
LogP2.55
Rot. Bonds3

About (2-carbonochloridoylphenyl) 2-methylprop-2-enoate

(2-carbonochloridoylphenyl) 2-methylprop-2-enoate (PubChem CID 100943837) has the molecular formula C11H9ClO3 and a molecular weight of 224.64 g/mol. Its IUPAC name is (2-carbonochloridoylphenyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(2-carbonochloridoylphenyl) 2-methylprop-2-enoate
PubChem CID100943837
Molecular FormulaC11H9ClO3
Molecular Weight224.64 g/mol
Exact Mass224.02
IUPAC Name(2-carbonochloridoylphenyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccccc1C(=O)Cl
InChIInChI=1S/C11H9ClO3/c1-7(2)11(14)15-9-6-4-3-5-8(9)10(12)13/h3-6H,1H2,2H3
InChIKeyFEWQJFRAXWVWSX-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(2-acetylphenyl) 2-methylprop-2-enoate
CID 19877902
[2-[1,2,2-tris[2-(2-methylprop-2-enoyloxy)phenyl]ethenyl]phenyl] 2-methylprop-2-enoate
CID 162511991
O-(2-carbonochloridoylphenyl) ethanethioate
CID 154208486
[2-(2-aminobenzoyl)phenyl] 2-methylprop-2-enoate
CID 139968489
(2-ethenylphenyl) 2-methylprop-2-enoate
CID 19607397
2-amino-3-(2-methylprop-2-enoyloxy)benzoic acid
CID 23083813
benzyl 2-(2-methylprop-2-enoyloxy)benzoate;ethane
CID 153361081
1-(2-prop-1-en-2-yloxyphenyl)ethanone
CID 118199787
pentyl 2-(2-methylprop-2-enoyloxy)benzoate
CID 89120577
2-(2-methylprop-2-enoyloxy)benzoic acid;3-(2-methylprop-2-enoyloxy)benzoic acid
CID 118071852
2-propan-2-yloxybenzoyl chloride
CID 15921914
ethane;naphthalen-1-yl 2-methylprop-2-enoate
CID 91365419

Frequently Asked Questions

What is the IUPAC name of (2-carbonochloridoylphenyl) 2-methylprop-2-enoate?
The IUPAC name of (2-carbonochloridoylphenyl) 2-methylprop-2-enoate (CID 100943837) is (2-carbonochloridoylphenyl) 2-methylprop-2-enoate.
What is the SMILES notation for (2-carbonochloridoylphenyl) 2-methylprop-2-enoate?
The canonical SMILES for (2-carbonochloridoylphenyl) 2-methylprop-2-enoate is C=C(C)C(=O)Oc1ccccc1C(=O)Cl.
What is the InChIKey of (2-carbonochloridoylphenyl) 2-methylprop-2-enoate?
The InChIKey is FEWQJFRAXWVWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClO3/c1-7(2)11(14)15-9-6-4-3-5-8(9)10(12)13/h3-6H,1H2,2H3.
What are the key properties of (2-carbonochloridoylphenyl) 2-methylprop-2-enoate?
(2-carbonochloridoylphenyl) 2-methylprop-2-enoate has a molecular weight of 224.64 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-carbonochloridoylphenyl) 2-methylprop-2-enoate is sourced from PubChem (CID 100943837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).