2-phenyl-2-[(2-prop-2-enylphenoxy)methyl]oxirane

C18H18O2 — CID 13383063

IUPAC2-phenyl-2-[(2-prop-2-enylphenoxy)methyl]oxirane
SMILESC=CCc1ccccc1OCC1(c2ccccc2)CO1
InChIInChI=1S/C18H18O2/c1-2-8-15-9-6-7-12-17(15)19-13-18(14-20-18)16-10-4-3-5-11-16/h2-7,9-12H,1,8,13-14H2
InChIKeyBOWYFIAILMMDED-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.72
Rot. Bonds6

About 2-phenyl-2-[(2-prop-2-enylphenoxy)methyl]oxirane

2-phenyl-2-[(2-prop-2-enylphenoxy)methyl]oxirane (PubChem CID 13383063) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-phenyl-2-[(2-prop-2-enylphenoxy)methyl]oxirane.

Molecular Properties

Compound Name2-phenyl-2-[(2-prop-2-enylphenoxy)methyl]oxirane
PubChem CID13383063
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name2-phenyl-2-[(2-prop-2-enylphenoxy)methyl]oxirane
SMILESC=CCc1ccccc1OCC1(c2ccccc2)CO1
InChIInChI=1S/C18H18O2/c1-2-8-15-9-6-7-12-17(15)19-13-18(14-20-18)16-10-4-3-5-11-16/h2-7,9-12H,1,8,13-14H2
InChIKeyBOWYFIAILMMDED-UHFFFAOYSA-N
XLogP3.72
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-phenyl-2-[(2-prop-2-enylphenoxy)methyl]oxirane 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

1-(methylsulfanylmethoxy)-2-prop-2-enylbenzene
CID 14224427
2-(2-prop-2-enylphenoxy)ethanamine chloride
CID 21228786
1-bromo-2-[(2-prop-2-enylphenoxy)methyl]benzene
CID 91655599
2-methyl-4-(2-prop-2-enylphenoxy)but-2-enoic acid
CID 77075220
2-methyl-2-[(2-tridec-12-enylphenoxy)methyl]oxirane
CID 101312846
2-acetamido-3-(2-prop-2-enylphenoxy)propanoic acid
CID 65442202
molecular nitrogen;1-phenoxy-2-prop-2-enylbenzene
CID 70452460
N,N-dimethyl-3-(2-prop-2-enylphenoxy)propan-1-amine
CID 2184313
3-phenyl-3-(2-prop-2-enylphenoxy)-2-benzofuran-1-one
CID 2844898
2-[(2-prop-2-enylphenoxy)methyl]prop-2-en-1-amine
CID 103074650
4-[(2-prop-2-enylphenoxy)methyl]benzoic acid
CID 2252771
CID 15477926
CID 15477926

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-[(2-prop-2-enylphenoxy)methyl]oxirane?
The IUPAC name of 2-phenyl-2-[(2-prop-2-enylphenoxy)methyl]oxirane (CID 13383063) is 2-phenyl-2-[(2-prop-2-enylphenoxy)methyl]oxirane.
What is the SMILES notation for 2-phenyl-2-[(2-prop-2-enylphenoxy)methyl]oxirane?
The canonical SMILES for 2-phenyl-2-[(2-prop-2-enylphenoxy)methyl]oxirane is C=CCc1ccccc1OCC1(c2ccccc2)CO1.
What is the InChIKey of 2-phenyl-2-[(2-prop-2-enylphenoxy)methyl]oxirane?
The InChIKey is BOWYFIAILMMDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-2-8-15-9-6-7-12-17(15)19-13-18(14-20-18)16-10-4-3-5-11-16/h2-7,9-12H,1,8,13-14H2.
What are the key properties of 2-phenyl-2-[(2-prop-2-enylphenoxy)methyl]oxirane?
2-phenyl-2-[(2-prop-2-enylphenoxy)methyl]oxirane has a molecular weight of 266.34 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-[(2-prop-2-enylphenoxy)methyl]oxirane is sourced from PubChem (CID 13383063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).