(2R)-2-anthracen-2-yloxirane

C16H12O — CID 129361736

IUPAC(2R)-2-anthracen-2-yloxirane
SMILESc1ccc2cc3cc([C@@H]4CO4)ccc3cc2c1
InChIInChI=1S/C16H12O/c1-2-4-12-8-15-9-14(16-10-17-16)6-5-13(15)7-11(12)3-1/h1-9,16H,10H2/t16-/m0/s1
InChIKeyUDWHVMQIIMIQTA-INIZCTEOSA-N
MW220.27 g/mol
LogP4.06
Rot. Bonds1

About (2R)-2-anthracen-2-yloxirane

(2R)-2-anthracen-2-yloxirane (PubChem CID 129361736) has the molecular formula C16H12O and a molecular weight of 220.27 g/mol. Its IUPAC name is (2R)-2-anthracen-2-yloxirane.

Molecular Properties

Compound Name(2R)-2-anthracen-2-yloxirane
PubChem CID129361736
Molecular FormulaC16H12O
Molecular Weight220.27 g/mol
Exact Mass220.09
IUPAC Name(2R)-2-anthracen-2-yloxirane
SMILESc1ccc2cc3cc([C@@H]4CO4)ccc3cc2c1
InChIInChI=1S/C16H12O/c1-2-4-12-8-15-9-14(16-10-17-16)6-5-13(15)7-11(12)3-1/h1-9,16H,10H2/t16-/m0/s1
InChIKeyUDWHVMQIIMIQTA-INIZCTEOSA-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-naphthalen-2-yloxirane
CID 10877557
2-anthracen-2-yloxane
CID 91801960
5-methyl-2-naphthalen-2-ylmorpholine
CID 43367075
2-cyclopropylanthracene
CID 91468721
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
(2S)-2-[4-[(2S)-oxiran-2-yl]phenyl]oxirane
CID 91864912
(2R,5R)-2-naphthalen-2-yl-5-phenyloxolane
CID 101344860
anthracene;2-methyloxirane
CID 174666283
3-naphthalen-2-yl-2,3,5,5a,6,7,8,8a-octahydro-1H-cyclopenta[e][1,4]oxazepine
CID 106364271
2-phenyloxirane
CID 7276
(2S,4R)-4-fluoro-2-naphthalen-2-yloxane
CID 155927148
(2S,4R,6R)-2-naphthalen-2-yl-6-phenyloxan-4-ol
CID 101086399

Frequently Asked Questions

What is the IUPAC name of (2R)-2-anthracen-2-yloxirane?
The IUPAC name of (2R)-2-anthracen-2-yloxirane (CID 129361736) is (2R)-2-anthracen-2-yloxirane.
What is the SMILES notation for (2R)-2-anthracen-2-yloxirane?
The canonical SMILES for (2R)-2-anthracen-2-yloxirane is c1ccc2cc3cc([C@@H]4CO4)ccc3cc2c1.
What is the InChIKey of (2R)-2-anthracen-2-yloxirane?
The InChIKey is UDWHVMQIIMIQTA-INIZCTEOSA-N. The full InChI is InChI=1S/C16H12O/c1-2-4-12-8-15-9-14(16-10-17-16)6-5-13(15)7-11(12)3-1/h1-9,16H,10H2/t16-/m0/s1.
What are the key properties of (2R)-2-anthracen-2-yloxirane?
(2R)-2-anthracen-2-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 (2R)-2-anthracen-2-yloxirane is sourced from PubChem (CID 129361736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).