methyl (E)-3-(3-carbonochloridoylphenyl)prop-2-enoate

C11H9ClO3 — CID 12046535

IUPACmethyl (E)-3-(3-carbonochloridoylphenyl)prop-2-enoate
SMILESCOC(=O)/C=C/c1cccc(C(=O)Cl)c1
InChIInChI=1S/C11H9ClO3/c1-15-10(13)6-5-8-3-2-4-9(7-8)11(12)14/h2-7H,1H3/b6-5+
InChIKeyFRCWYGQXHDCRHV-AATRIKPKSA-N
MW224.64 g/mol
LogP2.25
Rot. Bonds3

About methyl (E)-3-(3-carbonochloridoylphenyl)prop-2-enoate

methyl (E)-3-(3-carbonochloridoylphenyl)prop-2-enoate (PubChem CID 12046535) has the molecular formula C11H9ClO3 and a molecular weight of 224.64 g/mol. Its IUPAC name is methyl (E)-3-(3-carbonochloridoylphenyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-(3-carbonochloridoylphenyl)prop-2-enoate
PubChem CID12046535
Molecular FormulaC11H9ClO3
Molecular Weight224.64 g/mol
Exact Mass224.02
IUPAC Namemethyl (E)-3-(3-carbonochloridoylphenyl)prop-2-enoate
SMILESCOC(=O)/C=C/c1cccc(C(=O)Cl)c1
InChIInChI=1S/C11H9ClO3/c1-15-10(13)6-5-8-3-2-4-9(7-8)11(12)14/h2-7H,1H3/b6-5+
InChIKeyFRCWYGQXHDCRHV-AATRIKPKSA-N
XLogP2.25
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 ≤ 52.25
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'}

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Related Compounds

ethyl 3-[(E)-3-methoxy-3-oxoprop-1-enyl]benzoate
CID 101233550
methyl 3-[3-(2-methylprop-1-enyl)phenyl]prop-2-enoate
CID 139611465
methyl (E)-3-(3-bromophenyl)prop-2-enoate
CID 1482751
methyl 3-(3-sulfanylphenyl)prop-2-enoate
CID 169478627
methyl 3-(3-ethoxy-3-oxoprop-1-enyl)benzoate
CID 54092134
ethane;methyl (E)-3-(3-aminophenyl)prop-2-enoate
CID 144922211
methyl 3-[3-(hydroxymethyl)phenyl]prop-2-enoate
CID 68585193
methyl (Z)-3-(3-ethylphenyl)prop-2-enoate
CID 97305033
methyl (Z)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
CID 5314584
methyl (E)-3-(3-phenoxyphenyl)prop-2-enoate
CID 10422431
3-[(E)-3-methoxy-3-oxoprop-1-enyl]benzenediazonium
CID 46909770
3-[(E)-3-methoxy-3-oxoprop-1-enyl]benzenesulfonate
CID 59145590

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-(3-carbonochloridoylphenyl)prop-2-enoate?
The IUPAC name of methyl (E)-3-(3-carbonochloridoylphenyl)prop-2-enoate (CID 12046535) is methyl (E)-3-(3-carbonochloridoylphenyl)prop-2-enoate.
What is the SMILES notation for methyl (E)-3-(3-carbonochloridoylphenyl)prop-2-enoate?
The canonical SMILES for methyl (E)-3-(3-carbonochloridoylphenyl)prop-2-enoate is COC(=O)/C=C/c1cccc(C(=O)Cl)c1.
What is the InChIKey of methyl (E)-3-(3-carbonochloridoylphenyl)prop-2-enoate?
The InChIKey is FRCWYGQXHDCRHV-AATRIKPKSA-N. The full InChI is InChI=1S/C11H9ClO3/c1-15-10(13)6-5-8-3-2-4-9(7-8)11(12)14/h2-7H,1H3/b6-5+.
What are the key properties of methyl (E)-3-(3-carbonochloridoylphenyl)prop-2-enoate?
methyl (E)-3-(3-carbonochloridoylphenyl)prop-2-enoate has a molecular weight of 224.64 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-(3-carbonochloridoylphenyl)prop-2-enoate is sourced from PubChem (CID 12046535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).