(2S)-2-(naphthalen-2-yloxymethyl)oxirane

C13H12O2 — CID 726163

IUPAC(2S)-2-(naphthalen-2-yloxymethyl)oxirane
SMILESc1ccc2cc(OC[C@@H]3CO3)ccc2c1
InChIInChI=1S/C13H12O2/c1-2-4-11-7-12(6-5-10(11)3-1)14-8-13-9-15-13/h1-7,13H,8-9H2/t13-/m1/s1
InChIKeyBKYSFVJCBRHGMA-CYBMUJFWSA-N
MW200.24 g/mol
LogP2.62
Rot. Bonds3

About (2S)-2-(naphthalen-2-yloxymethyl)oxirane

(2S)-2-(naphthalen-2-yloxymethyl)oxirane (PubChem CID 726163) has the molecular formula C13H12O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is (2S)-2-(naphthalen-2-yloxymethyl)oxirane.

Molecular Properties

Compound Name(2S)-2-(naphthalen-2-yloxymethyl)oxirane
PubChem CID726163
Molecular FormulaC13H12O2
Molecular Weight200.24 g/mol
Exact Mass200.08
IUPAC Name(2S)-2-(naphthalen-2-yloxymethyl)oxirane
SMILESc1ccc2cc(OC[C@@H]3CO3)ccc2c1
InChIInChI=1S/C13H12O2/c1-2-4-11-7-12(6-5-10(11)3-1)14-8-13-9-15-13/h1-7,13H,8-9H2/t13-/m1/s1
InChIKeyBKYSFVJCBRHGMA-CYBMUJFWSA-N
XLogP2.62
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

naphthalene-2,6-diol;2-[[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxymethyl]oxirane
CID 167603505
2-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxypyrimidine
CID 142978717
(2R)-2-[[5-[[(2R)-oxiran-2-yl]methoxy]naphthalen-2-yl]oxymethyl]oxirane
CID 681871
2-[[6-[12-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaenyl]naphthalen-2-yl]oxymethyl]oxirane
CID 140948259
(2S)-2-[[4-[[(2S)-oxiran-2-yl]methoxy]phenoxy]methyl]oxirane
CID 677176
2-[[6-[2-[3-[2-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxyethyl]phenyl]ethoxy]naphthalen-2-yl]oxymethyl]oxirane
CID 87877907
(2S)-2-[[3-[[(2R)-oxiran-2-yl]methoxy]naphthalen-1-yl]oxymethyl]oxirane
CID 89326132
2-[[4-methyl-7-[7-[7-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxynaphthalen-2-yl]oxynaphthalen-2-yl]oxymethyl]oxirane
CID 163890567
(2R)-2-[[4-[(E)-2-phenylethenyl]phenoxy]methyl]oxirane
CID 129392534
2-[[1-[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]naphthalen-2-yl]oxymethyl]oxirane
CID 86159181
2-[[3-[(E)-2-[3-(oxiran-2-ylmethoxy)phenyl]ethenyl]phenoxy]methyl]oxirane
CID 155004813
2-[[6-[9,18,18,27,27-pentakis[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]-9-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25-dodecaenyl]naphthalen-2-yl]oxymethyl]oxirane
CID 89491365

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(naphthalen-2-yloxymethyl)oxirane?
The IUPAC name of (2S)-2-(naphthalen-2-yloxymethyl)oxirane (CID 726163) is (2S)-2-(naphthalen-2-yloxymethyl)oxirane.
What is the SMILES notation for (2S)-2-(naphthalen-2-yloxymethyl)oxirane?
The canonical SMILES for (2S)-2-(naphthalen-2-yloxymethyl)oxirane is c1ccc2cc(OC[C@@H]3CO3)ccc2c1.
What is the InChIKey of (2S)-2-(naphthalen-2-yloxymethyl)oxirane?
The InChIKey is BKYSFVJCBRHGMA-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H12O2/c1-2-4-11-7-12(6-5-10(11)3-1)14-8-13-9-15-13/h1-7,13H,8-9H2/t13-/m1/s1.
What are the key properties of (2S)-2-(naphthalen-2-yloxymethyl)oxirane?
(2S)-2-(naphthalen-2-yloxymethyl)oxirane has a molecular weight of 200.24 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(naphthalen-2-yloxymethyl)oxirane is sourced from PubChem (CID 726163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).