phenyl 2-prop-2-enoyloxybenzoate

C16H12O4 — CID 10858474

IUPACphenyl 2-prop-2-enoyloxybenzoate
SMILESC=CC(=O)Oc1ccccc1C(=O)Oc1ccccc1
InChIInChI=1S/C16H12O4/c1-2-15(17)20-14-11-7-6-10-13(14)16(18)19-12-8-4-3-5-9-12/h2-11H,1H2
InChIKeyKTOUIDNVCQYAQQ-UHFFFAOYSA-N
MW268.27 g/mol
LogP3.00
Rot. Bonds4

About phenyl 2-prop-2-enoyloxybenzoate

phenyl 2-prop-2-enoyloxybenzoate (PubChem CID 10858474) has the molecular formula C16H12O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is phenyl 2-prop-2-enoyloxybenzoate.

Molecular Properties

Compound Namephenyl 2-prop-2-enoyloxybenzoate
PubChem CID10858474
Molecular FormulaC16H12O4
Molecular Weight268.27 g/mol
Exact Mass268.07
IUPAC Namephenyl 2-prop-2-enoyloxybenzoate
SMILESC=CC(=O)Oc1ccccc1C(=O)Oc1ccccc1
InChIInChI=1S/C16H12O4/c1-2-15(17)20-14-11-7-6-10-13(14)16(18)19-12-8-4-3-5-9-12/h2-11H,1H2
InChIKeyKTOUIDNVCQYAQQ-UHFFFAOYSA-N
XLogP3.00
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

phenyl 4-methyl-2-prop-2-enoyloxybenzoate
CID 89405536
phenyl 2-phenoxybenzoate
CID 2471273
phenyl prop-2-enoate;triphenylene
CID 159225619
phenyl 2-(2-oxoethoxy)benzoate
CID 54027293
(4-phenylperoxyphenyl) prop-2-enoate
CID 163991970
oxirane;phenyl prop-2-enoate
CID 87443709
phenyl 2-butanoyloxybenzoate
CID 174960462
formaldehyde;phenyl 2-hydroxybenzoate
CID 70193884
2-(2-hydroxyphenyl)phenol;[2-(2-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate
CID 160674288
(2-prop-2-enoylphenyl) 2-oxoacetate
CID 87741605
(3-benzoyl-2-hydroxyphenyl) prop-2-enoate
CID 21134250
(2-methoxyphenyl) prop-2-enoate
CID 22987486

Frequently Asked Questions

What is the IUPAC name of phenyl 2-prop-2-enoyloxybenzoate?
The IUPAC name of phenyl 2-prop-2-enoyloxybenzoate (CID 10858474) is phenyl 2-prop-2-enoyloxybenzoate.
What is the SMILES notation for phenyl 2-prop-2-enoyloxybenzoate?
The canonical SMILES for phenyl 2-prop-2-enoyloxybenzoate is C=CC(=O)Oc1ccccc1C(=O)Oc1ccccc1.
What is the InChIKey of phenyl 2-prop-2-enoyloxybenzoate?
The InChIKey is KTOUIDNVCQYAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O4/c1-2-15(17)20-14-11-7-6-10-13(14)16(18)19-12-8-4-3-5-9-12/h2-11H,1H2.
What are the key properties of phenyl 2-prop-2-enoyloxybenzoate?
phenyl 2-prop-2-enoyloxybenzoate has a molecular weight of 268.27 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-prop-2-enoyloxybenzoate is sourced from PubChem (CID 10858474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).