(3-carbonochloridoyloxyphenyl) prop-2-enoate

C10H7ClO4 — CID 174628554

IUPAC(3-carbonochloridoyloxyphenyl) prop-2-enoate
SMILESC=CC(=O)Oc1cccc(OC(=O)Cl)c1
InChIInChI=1S/C10H7ClO4/c1-2-9(12)14-7-4-3-5-8(6-7)15-10(11)13/h2-6H,1H2
InChIKeyFZDODHXRJAARCK-UHFFFAOYSA-N
MW226.62 g/mol
LogP2.52
Rot. Bonds3

About (3-carbonochloridoyloxyphenyl) prop-2-enoate

(3-carbonochloridoyloxyphenyl) prop-2-enoate (PubChem CID 174628554) has the molecular formula C10H7ClO4 and a molecular weight of 226.62 g/mol. Its IUPAC name is (3-carbonochloridoyloxyphenyl) prop-2-enoate.

Molecular Properties

Compound Name(3-carbonochloridoyloxyphenyl) prop-2-enoate
PubChem CID174628554
Molecular FormulaC10H7ClO4
Molecular Weight226.62 g/mol
Exact Mass226.00
IUPAC Name(3-carbonochloridoyloxyphenyl) prop-2-enoate
SMILESC=CC(=O)Oc1cccc(OC(=O)Cl)c1
InChIInChI=1S/C10H7ClO4/c1-2-9(12)14-7-4-3-5-8(6-7)15-10(11)13/h2-6H,1H2
InChIKeyFZDODHXRJAARCK-UHFFFAOYSA-N
XLogP2.52
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.62
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

(3-chlorophenyl) prop-2-enoate
CID 10241458
[3-(2,2-dichloroacetyl)oxyphenyl] prop-2-enoate
CID 91692780
(3-fluorophenyl) prop-2-enoate
CID 21098293
(3-ethoxyphenyl) prop-2-enoate
CID 54380290
ethene;(3-methylphenyl) prop-2-enoate
CID 161018707
3-(3-hydroxyphenyl)phenol;[3-(3-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate
CID 160578050
(6-carbonochloridoyloxynaphthalen-2-yl) carbonochloridate
CID 23213740
(3-iodophenyl) carbonochloridate
CID 24749160
(3-prop-2-enoyloxyphenyl) cyclohexanecarboxylate
CID 91698143
[3-(2-chlorophenyl)phenyl] prop-2-enoate
CID 174588124
[3-(4-chloro-N-(3-prop-2-enoyloxyphenyl)anilino)phenyl] prop-2-enoate
CID 59832753
CID 157452976
CID 157452976

Frequently Asked Questions

What is the IUPAC name of (3-carbonochloridoyloxyphenyl) prop-2-enoate?
The IUPAC name of (3-carbonochloridoyloxyphenyl) prop-2-enoate (CID 174628554) is (3-carbonochloridoyloxyphenyl) prop-2-enoate.
What is the SMILES notation for (3-carbonochloridoyloxyphenyl) prop-2-enoate?
The canonical SMILES for (3-carbonochloridoyloxyphenyl) prop-2-enoate is C=CC(=O)Oc1cccc(OC(=O)Cl)c1.
What is the InChIKey of (3-carbonochloridoyloxyphenyl) prop-2-enoate?
The InChIKey is FZDODHXRJAARCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClO4/c1-2-9(12)14-7-4-3-5-8(6-7)15-10(11)13/h2-6H,1H2.
What are the key properties of (3-carbonochloridoyloxyphenyl) prop-2-enoate?
(3-carbonochloridoyloxyphenyl) prop-2-enoate has a molecular weight of 226.62 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-carbonochloridoyloxyphenyl) prop-2-enoate is sourced from PubChem (CID 174628554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).