anthracene;2-methyloxirane

C17H16O — CID 174666283

IUPACanthracene;2-methyloxirane
SMILESCC1CO1.c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C14H10.C3H6O/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-3-2-4-3/h1-10H;3H,2H2,1H3
InChIKeyAIEDIKRGXDKBME-UHFFFAOYSA-N
MW236.31 g/mol
LogP4.40
Rot. Bonds

About anthracene;2-methyloxirane

anthracene;2-methyloxirane (PubChem CID 174666283) has the molecular formula C17H16O and a molecular weight of 236.31 g/mol. Its IUPAC name is anthracene;2-methyloxirane.

Molecular Properties

Compound Nameanthracene;2-methyloxirane
PubChem CID174666283
Molecular FormulaC17H16O
Molecular Weight236.31 g/mol
Exact Mass236.12
IUPAC Nameanthracene;2-methyloxirane
SMILESCC1CO1.c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C14H10.C3H6O/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-3-2-4-3/h1-10H;3H,2H2,1H3
InChIKeyAIEDIKRGXDKBME-UHFFFAOYSA-N
XLogP4.40
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 54.40
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'}

Analyze anthracene;2-methyloxirane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of anthracene;2-methyloxirane?
The IUPAC name of anthracene;2-methyloxirane (CID 174666283) is anthracene;2-methyloxirane.
What is the SMILES notation for anthracene;2-methyloxirane?
The canonical SMILES for anthracene;2-methyloxirane is CC1CO1.c1ccc2cc3ccccc3cc2c1.
What is the InChIKey of anthracene;2-methyloxirane?
The InChIKey is AIEDIKRGXDKBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10.C3H6O/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-3-2-4-3/h1-10H;3H,2H2,1H3.
What are the key properties of anthracene;2-methyloxirane?
anthracene;2-methyloxirane has a molecular weight of 236.31 g/mol, XLogP of 4.40, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene;2-methyloxirane is sourced from PubChem (CID 174666283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).