2-(anthracen-9-ylmethyl)oxirane

C17H14O — CID 54367420

IUPAC2-(anthracen-9-ylmethyl)oxirane
SMILESc1ccc2c(CC3CO3)c3ccccc3cc2c1
InChIInChI=1S/C17H14O/c1-3-7-15-12(5-1)9-13-6-2-4-8-16(13)17(15)10-14-11-18-14/h1-9,14H,10-11H2
InChIKeySAEVHWNYLWDDIV-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.93
Rot. Bonds2

About 2-(anthracen-9-ylmethyl)oxirane

2-(anthracen-9-ylmethyl)oxirane (PubChem CID 54367420) has the molecular formula C17H14O and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-(anthracen-9-ylmethyl)oxirane.

Molecular Properties

Compound Name2-(anthracen-9-ylmethyl)oxirane
PubChem CID54367420
Molecular FormulaC17H14O
Molecular Weight234.30 g/mol
Exact Mass234.10
IUPAC Name2-(anthracen-9-ylmethyl)oxirane
SMILESc1ccc2c(CC3CO3)c3ccccc3cc2c1
InChIInChI=1S/C17H14O/c1-3-7-15-12(5-1)9-13-6-2-4-8-16(13)17(15)10-14-11-18-14/h1-9,14H,10-11H2
InChIKeySAEVHWNYLWDDIV-UHFFFAOYSA-N
XLogP3.93
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', '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-(anthracen-9-ylmethyl)oxirane?
The IUPAC name of 2-(anthracen-9-ylmethyl)oxirane (CID 54367420) is 2-(anthracen-9-ylmethyl)oxirane.
What is the SMILES notation for 2-(anthracen-9-ylmethyl)oxirane?
The canonical SMILES for 2-(anthracen-9-ylmethyl)oxirane is c1ccc2c(CC3CO3)c3ccccc3cc2c1.
What is the InChIKey of 2-(anthracen-9-ylmethyl)oxirane?
The InChIKey is SAEVHWNYLWDDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O/c1-3-7-15-12(5-1)9-13-6-2-4-8-16(13)17(15)10-14-11-18-14/h1-9,14H,10-11H2.
What are the key properties of 2-(anthracen-9-ylmethyl)oxirane?
2-(anthracen-9-ylmethyl)oxirane has a molecular weight of 234.30 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(anthracen-9-ylmethyl)oxirane is sourced from PubChem (CID 54367420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).