oxirane;phenyl prop-2-enoate

C11H12O3 — CID 87443709

IUPACoxirane;phenyl prop-2-enoate
SMILESC1CO1.C=CC(=O)Oc1ccccc1
InChIInChI=1S/C9H8O2.C2H4O/c1-2-9(10)11-8-6-4-3-5-7-8;1-2-3-1/h2-7H,1H2;1-2H2
InChIKeyBMIOMJQIAMLXAP-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.79
Rot. Bonds2

About oxirane;phenyl prop-2-enoate

oxirane;phenyl prop-2-enoate (PubChem CID 87443709) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is oxirane;phenyl prop-2-enoate.

Molecular Properties

Compound Nameoxirane;phenyl prop-2-enoate
PubChem CID87443709
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Nameoxirane;phenyl prop-2-enoate
SMILESC1CO1.C=CC(=O)Oc1ccccc1
InChIInChI=1S/C9H8O2.C2H4O/c1-2-9(10)11-8-6-4-3-5-7-8;1-2-3-1/h2-7H,1H2;1-2H2
InChIKeyBMIOMJQIAMLXAP-UHFFFAOYSA-N
XLogP1.79
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze oxirane;phenyl prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

phenyl prop-2-enoate;triphenylene
CID 159225619
(4-phenylperoxyphenyl) prop-2-enoate
CID 163991970
phenyl 2-methylprop-2-enoate;phenyl prop-2-enoate
CID 20561455
phenyl 2-prop-2-enoyloxybenzoate
CID 10858474
[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
oxirane;phenol;bis(prop-2-enoic acid)
CID 158727364
[4-(4-benzoylphenoxy)carbonyloxyphenyl] prop-2-enoate
CID 151151993
buta-1,3-diene;diphenyl carbonate
CID 87173366
phenyl prop-2-enoate;N-propan-2-ylprop-2-enamide;prop-2-enoic acid
CID 175166884
[4-[4-(4-phenyl-N-(4-prop-2-enoyloxyphenyl)anilino)phenyl]phenyl] prop-2-enoate
CID 22089914
[4-[4-(N-phenylanilino)phenyl]phenyl] prop-2-enoate
CID 58800639
[4-[[bis[[dimethyl-(4-prop-2-enoyloxyphenyl)silyl]oxy]-phenylsilyl]oxy-dimethylsilyl]phenyl] prop-2-enoate
CID 139635359

Frequently Asked Questions

What is the IUPAC name of oxirane;phenyl prop-2-enoate?
The IUPAC name of oxirane;phenyl prop-2-enoate (CID 87443709) is oxirane;phenyl prop-2-enoate.
What is the SMILES notation for oxirane;phenyl prop-2-enoate?
The canonical SMILES for oxirane;phenyl prop-2-enoate is C1CO1.C=CC(=O)Oc1ccccc1.
What is the InChIKey of oxirane;phenyl prop-2-enoate?
The InChIKey is BMIOMJQIAMLXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O2.C2H4O/c1-2-9(10)11-8-6-4-3-5-7-8;1-2-3-1/h2-7H,1H2;1-2H2.
What are the key properties of oxirane;phenyl prop-2-enoate?
oxirane;phenyl prop-2-enoate has a molecular weight of 192.21 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxirane;phenyl prop-2-enoate is sourced from PubChem (CID 87443709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).