2-(5-methoxy-2-phenanthren-9-ylphenyl)-3-methyloxirane

C24H20O2 — CID 24827960

IUPAC2-(5-methoxy-2-phenanthren-9-ylphenyl)-3-methyloxirane
SMILESCOc1ccc(-c2cc3ccccc3c3ccccc23)c(C2OC2C)c1
InChIInChI=1S/C24H20O2/c1-15-24(26-15)23-14-17(25-2)11-12-21(23)22-13-16-7-3-4-8-18(16)19-9-5-6-10-20(19)22/h3-15,24H,1-2H3
InChIKeyFUEMMDDVUJMXTO-UHFFFAOYSA-N
MW340.42 g/mol
LogP6.13
Rot. Bonds3

About 2-(5-methoxy-2-phenanthren-9-ylphenyl)-3-methyloxirane

2-(5-methoxy-2-phenanthren-9-ylphenyl)-3-methyloxirane (PubChem CID 24827960) has the molecular formula C24H20O2 and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-(5-methoxy-2-phenanthren-9-ylphenyl)-3-methyloxirane.

Molecular Properties

Compound Name2-(5-methoxy-2-phenanthren-9-ylphenyl)-3-methyloxirane
PubChem CID24827960
Molecular FormulaC24H20O2
Molecular Weight340.42 g/mol
Exact Mass340.15
IUPAC Name2-(5-methoxy-2-phenanthren-9-ylphenyl)-3-methyloxirane
SMILESCOc1ccc(-c2cc3ccccc3c3ccccc23)c(C2OC2C)c1
InChIInChI=1S/C24H20O2/c1-15-24(26-15)23-14-17(25-2)11-12-21(23)22-13-16-7-3-4-8-18(16)19-9-5-6-10-20(19)22/h3-15,24H,1-2H3
InChIKeyFUEMMDDVUJMXTO-UHFFFAOYSA-N
XLogP6.13
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.42
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-2-phenanthren-9-ylphenyl)-3-methyloxirane?
The IUPAC name of 2-(5-methoxy-2-phenanthren-9-ylphenyl)-3-methyloxirane (CID 24827960) is 2-(5-methoxy-2-phenanthren-9-ylphenyl)-3-methyloxirane.
What is the SMILES notation for 2-(5-methoxy-2-phenanthren-9-ylphenyl)-3-methyloxirane?
The canonical SMILES for 2-(5-methoxy-2-phenanthren-9-ylphenyl)-3-methyloxirane is COc1ccc(-c2cc3ccccc3c3ccccc23)c(C2OC2C)c1.
What is the InChIKey of 2-(5-methoxy-2-phenanthren-9-ylphenyl)-3-methyloxirane?
The InChIKey is FUEMMDDVUJMXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20O2/c1-15-24(26-15)23-14-17(25-2)11-12-21(23)22-13-16-7-3-4-8-18(16)19-9-5-6-10-20(19)22/h3-15,24H,1-2H3.
What are the key properties of 2-(5-methoxy-2-phenanthren-9-ylphenyl)-3-methyloxirane?
2-(5-methoxy-2-phenanthren-9-ylphenyl)-3-methyloxirane has a molecular weight of 340.42 g/mol, XLogP of 6.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-2-phenanthren-9-ylphenyl)-3-methyloxirane is sourced from PubChem (CID 24827960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).