(2S,3R)-2-methyl-3-naphthalen-2-yloxirane

C13H12O — CID 11321352

IUPAC(2S,3R)-2-methyl-3-naphthalen-2-yloxirane
SMILESC[C@@H]1O[C@@H]1c1ccc2ccccc2c1
InChIInChI=1S/C13H12O/c1-9-13(14-9)12-7-6-10-4-2-3-5-11(10)8-12/h2-9,13H,1H3/t9-,13-/m0/s1
InChIKeyUXWQZSBIDCNBBF-ZANVPECISA-N
MW184.24 g/mol
LogP3.30
Rot. Bonds1

About (2S,3R)-2-methyl-3-naphthalen-2-yloxirane

(2S,3R)-2-methyl-3-naphthalen-2-yloxirane (PubChem CID 11321352) has the molecular formula C13H12O and a molecular weight of 184.24 g/mol. Its IUPAC name is (2S,3R)-2-methyl-3-naphthalen-2-yloxirane.

Molecular Properties

Compound Name(2S,3R)-2-methyl-3-naphthalen-2-yloxirane
PubChem CID11321352
Molecular FormulaC13H12O
Molecular Weight184.24 g/mol
Exact Mass184.09
IUPAC Name(2S,3R)-2-methyl-3-naphthalen-2-yloxirane
SMILESC[C@@H]1O[C@@H]1c1ccc2ccccc2c1
InChIInChI=1S/C13H12O/c1-9-13(14-9)12-7-6-10-4-2-3-5-11(10)8-12/h2-9,13H,1H3/t9-,13-/m0/s1
InChIKeyUXWQZSBIDCNBBF-ZANVPECISA-N
XLogP3.30
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R)-3-naphthalen-2-yloxirane-2-carbonitrile
CID 130405485
(2S,3S)-3-methyl-2-naphthalen-2-yl-2,3-dihydropyran-6-one
CID 101160062
(2R,3S)-2-methyl-3-phenyloxirane
CID 6452030
(2R)-2-naphthalen-2-yloxirane
CID 10877557
(2R,5R)-2-naphthalen-2-yl-5-phenyloxolane
CID 101344860
(2S,4R,6R)-2-naphthalen-2-yl-6-phenyloxan-4-ol
CID 101086399
2-[(1S,2S)-4,4-dimethyl-2-naphthalen-2-ylcyclopentyl]naphthalene
CID 132563382
5-methyl-2-naphthalen-2-ylmorpholine
CID 43367075
(2R,3S)-2-(3-chlorophenyl)-3-methyloxirane
CID 30122314
(5R,7R,12S,14S)-5,14-dimethyl-7,12-dinaphthalen-2-yl-1,4,8,11-tetrazacyclotetradecane
CID 98534445
(5S,7R,12S,14S)-5,14-dimethyl-7,12-dinaphthalen-2-yl-1,4,8,11-tetrazacyclotetradecane
CID 98534446
2-methyl-3-naphthalen-2-ylcyclopentan-1-amine
CID 64909840

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-methyl-3-naphthalen-2-yloxirane?
The IUPAC name of (2S,3R)-2-methyl-3-naphthalen-2-yloxirane (CID 11321352) is (2S,3R)-2-methyl-3-naphthalen-2-yloxirane.
What is the SMILES notation for (2S,3R)-2-methyl-3-naphthalen-2-yloxirane?
The canonical SMILES for (2S,3R)-2-methyl-3-naphthalen-2-yloxirane is C[C@@H]1O[C@@H]1c1ccc2ccccc2c1.
What is the InChIKey of (2S,3R)-2-methyl-3-naphthalen-2-yloxirane?
The InChIKey is UXWQZSBIDCNBBF-ZANVPECISA-N. The full InChI is InChI=1S/C13H12O/c1-9-13(14-9)12-7-6-10-4-2-3-5-11(10)8-12/h2-9,13H,1H3/t9-,13-/m0/s1.
What are the key properties of (2S,3R)-2-methyl-3-naphthalen-2-yloxirane?
(2S,3R)-2-methyl-3-naphthalen-2-yloxirane has a molecular weight of 184.24 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-methyl-3-naphthalen-2-yloxirane is sourced from PubChem (CID 11321352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).