(2S,3S)-2-(naphthalen-2-ylmethoxy)-3-phenylmethoxyoxirane

C20H18O3 — CID 100966830

IUPAC(2S,3S)-2-(naphthalen-2-ylmethoxy)-3-phenylmethoxyoxirane
SMILESc1ccc(CO[C@H]2O[C@@H]2OCc2ccc3ccccc3c2)cc1
InChIInChI=1S/C20H18O3/c1-2-6-15(7-3-1)13-21-19-20(23-19)22-14-16-10-11-17-8-4-5-9-18(17)12-16/h1-12,19-20H,13-14H2/t19-,20-/m0/s1
InChIKeyBDJYXRIAZGLKCE-PMACEKPBSA-N
MW306.36 g/mol
LogP4.26
Rot. Bonds6

About (2S,3S)-2-(naphthalen-2-ylmethoxy)-3-phenylmethoxyoxirane

(2S,3S)-2-(naphthalen-2-ylmethoxy)-3-phenylmethoxyoxirane (PubChem CID 100966830) has the molecular formula C20H18O3 and a molecular weight of 306.36 g/mol. Its IUPAC name is (2S,3S)-2-(naphthalen-2-ylmethoxy)-3-phenylmethoxyoxirane.

Molecular Properties

Compound Name(2S,3S)-2-(naphthalen-2-ylmethoxy)-3-phenylmethoxyoxirane
PubChem CID100966830
Molecular FormulaC20H18O3
Molecular Weight306.36 g/mol
Exact Mass306.13
IUPAC Name(2S,3S)-2-(naphthalen-2-ylmethoxy)-3-phenylmethoxyoxirane
SMILESc1ccc(CO[C@H]2O[C@@H]2OCc2ccc3ccccc3c2)cc1
InChIInChI=1S/C20H18O3/c1-2-6-15(7-3-1)13-21-19-20(23-19)22-14-16-10-11-17-8-4-5-9-18(17)12-16/h1-12,19-20H,13-14H2/t19-,20-/m0/s1
InChIKeyBDJYXRIAZGLKCE-PMACEKPBSA-N
XLogP4.26
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclohexyloxymethyl)naphthalene
CID 10705229
(2R,3R,4S,5R,6R)-2-(naphthalen-2-ylmethoxymethyl)-4,5-bis(phenylmethoxy)-6-prop-2-enoxyoxan-3-ol
CID 101187106
(2R,3R,4S,5S,6R)-2-(hydroxymethyl)-4-(naphthalen-2-ylmethoxy)-5-phenylmethoxy-6-phenylsulfanyloxan-3-ol
CID 11961727
2-(phosphorosooxymethyl)naphthalene
CID 69098049
2-benzylnaphthalene
CID 11948
2-(ethoxymethyl)naphthalene
CID 11063138
(2S,3S,4R,5S)-3,4,5-tris(phenylmethoxy)oxolan-2-ol
CID 97267896
[(2S,3S,4R,5R,6R)-3-(naphthalen-2-ylmethoxy)-4,5-bis(phenylmethoxy)-6-phenylsulfanyloxan-2-yl]methyl acetate
CID 25194068
(2R,4aR,6R,7S,8S,8aR)-8-(naphthalen-2-ylmethoxy)-2-phenyl-7-phenylmethoxy-6-phenylsulfanyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 71623608
[(2R,3R,4S,5R,6S)-6-ethylsulfanyl-4-(naphthalen-2-ylmethoxy)-3,5-bis(phenylmethoxy)oxan-2-yl]methyl acetate
CID 71579034
2-[(3-benzylphenyl)methyl]naphthalene
CID 157208363
2-(naphthalen-2-ylmethyl)naphthalene
CID 14123480

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(naphthalen-2-ylmethoxy)-3-phenylmethoxyoxirane?
The IUPAC name of (2S,3S)-2-(naphthalen-2-ylmethoxy)-3-phenylmethoxyoxirane (CID 100966830) is (2S,3S)-2-(naphthalen-2-ylmethoxy)-3-phenylmethoxyoxirane.
What is the SMILES notation for (2S,3S)-2-(naphthalen-2-ylmethoxy)-3-phenylmethoxyoxirane?
The canonical SMILES for (2S,3S)-2-(naphthalen-2-ylmethoxy)-3-phenylmethoxyoxirane is c1ccc(CO[C@H]2O[C@@H]2OCc2ccc3ccccc3c2)cc1.
What is the InChIKey of (2S,3S)-2-(naphthalen-2-ylmethoxy)-3-phenylmethoxyoxirane?
The InChIKey is BDJYXRIAZGLKCE-PMACEKPBSA-N. The full InChI is InChI=1S/C20H18O3/c1-2-6-15(7-3-1)13-21-19-20(23-19)22-14-16-10-11-17-8-4-5-9-18(17)12-16/h1-12,19-20H,13-14H2/t19-,20-/m0/s1.
What are the key properties of (2S,3S)-2-(naphthalen-2-ylmethoxy)-3-phenylmethoxyoxirane?
(2S,3S)-2-(naphthalen-2-ylmethoxy)-3-phenylmethoxyoxirane has a molecular weight of 306.36 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(naphthalen-2-ylmethoxy)-3-phenylmethoxyoxirane is sourced from PubChem (CID 100966830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).