(4-phenylperoxyphenyl) prop-2-enoate

C15H12O4 — CID 163991970

IUPAC(4-phenylperoxyphenyl) prop-2-enoate
SMILESC=CC(=O)Oc1ccc(OOc2ccccc2)cc1
InChIInChI=1S/C15H12O4/c1-2-15(16)17-12-8-10-14(11-9-12)19-18-13-6-4-3-5-7-13/h2-11H,1H2
InChIKeyLTLFJYUYNUCLPU-UHFFFAOYSA-N
MW256.26 g/mol
LogP3.15
Rot. Bonds5

About (4-phenylperoxyphenyl) prop-2-enoate

(4-phenylperoxyphenyl) prop-2-enoate (PubChem CID 163991970) has the molecular formula C15H12O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is (4-phenylperoxyphenyl) prop-2-enoate.

Molecular Properties

Compound Name(4-phenylperoxyphenyl) prop-2-enoate
PubChem CID163991970
Molecular FormulaC15H12O4
Molecular Weight256.26 g/mol
Exact Mass256.07
IUPAC Name(4-phenylperoxyphenyl) prop-2-enoate
SMILESC=CC(=O)Oc1ccc(OOc2ccccc2)cc1
InChIInChI=1S/C15H12O4/c1-2-15(16)17-12-8-10-14(11-9-12)19-18-13-6-4-3-5-7-13/h2-11H,1H2
InChIKeyLTLFJYUYNUCLPU-UHFFFAOYSA-N
XLogP3.15
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

phenyl prop-2-enoate;triphenylene
CID 159225619
oxirane;phenyl prop-2-enoate
CID 87443709
phenyl 2-methylprop-2-enoate;phenyl prop-2-enoate
CID 20561455
[4-[[4-anilino-6-[4-[(4,6-dianilino-1,3,5-triazin-2-yl)amino]anilino]-1,3,5-triazin-2-yl]amino]phenyl] prop-2-enoate
CID 155065684
[4-(4-benzoylphenoxy)carbonyloxyphenyl] prop-2-enoate
CID 151151993
[4-[2-(4-benzhydrylphenyl)ethenyl]phenyl] prop-2-enoate
CID 58203279
phenyl prop-2-enoate;N-propan-2-ylprop-2-enamide;prop-2-enoic acid
CID 175166884
[4-[4-(N-phenylanilino)phenyl]phenyl] prop-2-enoate
CID 58800639
phenyl 2-prop-2-enoyloxybenzoate
CID 10858474
[4-[4-(4-phenyl-N-(4-prop-2-enoyloxyphenyl)anilino)phenyl]phenyl] prop-2-enoate
CID 22089914
phenoxybenzene;prop-2-enoic acid
CID 66735010
[4-[4-(4-prop-2-enoyloxyphenyl)sulfanylphenyl]sulfanylphenyl] prop-2-enoate
CID 59739086

Frequently Asked Questions

What is the IUPAC name of (4-phenylperoxyphenyl) prop-2-enoate?
The IUPAC name of (4-phenylperoxyphenyl) prop-2-enoate (CID 163991970) is (4-phenylperoxyphenyl) prop-2-enoate.
What is the SMILES notation for (4-phenylperoxyphenyl) prop-2-enoate?
The canonical SMILES for (4-phenylperoxyphenyl) prop-2-enoate is C=CC(=O)Oc1ccc(OOc2ccccc2)cc1.
What is the InChIKey of (4-phenylperoxyphenyl) prop-2-enoate?
The InChIKey is LTLFJYUYNUCLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O4/c1-2-15(16)17-12-8-10-14(11-9-12)19-18-13-6-4-3-5-7-13/h2-11H,1H2.
What are the key properties of (4-phenylperoxyphenyl) prop-2-enoate?
(4-phenylperoxyphenyl) prop-2-enoate has a molecular weight of 256.26 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylperoxyphenyl) prop-2-enoate is sourced from PubChem (CID 163991970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).