(2S)-2-anthracen-9-yloxirane

C16H12O — CID 102063166

IUPAC(2S)-2-anthracen-9-yloxirane
SMILESc1ccc2c([C@H]3CO3)c3ccccc3cc2c1
InChIInChI=1S/C16H12O/c1-3-7-13-11(5-1)9-12-6-2-4-8-14(12)16(13)15-10-17-15/h1-9,15H,10H2/t15-/m1/s1
InChIKeyWSQHNGOQXGWRRF-OAHLLOKOSA-N
MW220.27 g/mol
LogP4.06
Rot. Bonds1

About (2S)-2-anthracen-9-yloxirane

(2S)-2-anthracen-9-yloxirane (PubChem CID 102063166) has the molecular formula C16H12O and a molecular weight of 220.27 g/mol. Its IUPAC name is (2S)-2-anthracen-9-yloxirane.

Molecular Properties

Compound Name(2S)-2-anthracen-9-yloxirane
PubChem CID102063166
Molecular FormulaC16H12O
Molecular Weight220.27 g/mol
Exact Mass220.09
IUPAC Name(2S)-2-anthracen-9-yloxirane
SMILESc1ccc2c([C@H]3CO3)c3ccccc3cc2c1
InChIInChI=1S/C16H12O/c1-3-7-13-11(5-1)9-12-6-2-4-8-14(12)16(13)15-10-17-15/h1-9,15H,10H2/t15-/m1/s1
InChIKeyWSQHNGOQXGWRRF-OAHLLOKOSA-N
XLogP4.06
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 54.06
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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Related Compounds

(2R)-2-anthracen-9-yl-2,3-dihydropyran-4-one
CID 86338425
2-(7-octacyclo[16.16.0.02,15.04,13.06,11.020,33.022,31.024,29]tetratriaconta-1(34),2,4(13),5,7,9,11,14,16,18,20,22,24,26,28,30,32-heptadecaenyl)oxirane
CID 141353663
2-(anthracen-9-ylmethyl)oxirane
CID 54367420
(2R)-2-anthracen-2-yloxirane
CID 129361736
anthracene;2-methyloxirane
CID 174666283
2-anthracen-9-yl-4H-1,3-benzodioxine
CID 11716584
(2R)-2-naphthalen-2-yloxirane
CID 10877557
CID 87455580
CID 87455580
2-anthracen-1-yl-1,4-dioxane
CID 87717766
2,5-bis(2-naphthalen-1-ylnaphthalen-1-yl)oxane
CID 174748405
3-anthracen-9-yl-5-phenyl-4,5-dihydro-3H-pyrazole
CID 91932394
2-(oxiran-2-yl)-1H-indole
CID 19919203

Frequently Asked Questions

What is the IUPAC name of (2S)-2-anthracen-9-yloxirane?
The IUPAC name of (2S)-2-anthracen-9-yloxirane (CID 102063166) is (2S)-2-anthracen-9-yloxirane.
What is the SMILES notation for (2S)-2-anthracen-9-yloxirane?
The canonical SMILES for (2S)-2-anthracen-9-yloxirane is c1ccc2c([C@H]3CO3)c3ccccc3cc2c1.
What is the InChIKey of (2S)-2-anthracen-9-yloxirane?
The InChIKey is WSQHNGOQXGWRRF-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H12O/c1-3-7-13-11(5-1)9-12-6-2-4-8-14(12)16(13)15-10-17-15/h1-9,15H,10H2/t15-/m1/s1.
What are the key properties of (2S)-2-anthracen-9-yloxirane?
(2S)-2-anthracen-9-yloxirane has a molecular weight of 220.27 g/mol, XLogP of 4.06, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-anthracen-9-yloxirane is sourced from PubChem (CID 102063166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).