(2R)-2-[(1R,2R)-1-methoxy-2-[(4-methoxyphenyl)methoxy]-3-methylbutyl]oxirane

C16H24O4 — CID 11097940

IUPAC(2R)-2-[(1R,2R)-1-methoxy-2-[(4-methoxyphenyl)methoxy]-3-methylbutyl]oxirane
SMILESCOc1ccc(CO[C@H](C(C)C)[C@@H](OC)[C@H]2CO2)cc1
InChIInChI=1S/C16H24O4/c1-11(2)15(16(18-4)14-10-19-14)20-9-12-5-7-13(17-3)8-6-12/h5-8,11,14-16H,9-10H2,1-4H3/t14-,15-,16+/m1/s1
InChIKeyRHNNRGBKYJIQQF-OAGGEKHMSA-N
MW280.36 g/mol
LogP2.65
Rot. Bonds8

About (2R)-2-[(1R,2R)-1-methoxy-2-[(4-methoxyphenyl)methoxy]-3-methylbutyl]oxirane

(2R)-2-[(1R,2R)-1-methoxy-2-[(4-methoxyphenyl)methoxy]-3-methylbutyl]oxirane (PubChem CID 11097940) has the molecular formula C16H24O4 and a molecular weight of 280.36 g/mol. Its IUPAC name is (2R)-2-[(1R,2R)-1-methoxy-2-[(4-methoxyphenyl)methoxy]-3-methylbutyl]oxirane.

Molecular Properties

Compound Name(2R)-2-[(1R,2R)-1-methoxy-2-[(4-methoxyphenyl)methoxy]-3-methylbutyl]oxirane
PubChem CID11097940
Molecular FormulaC16H24O4
Molecular Weight280.36 g/mol
Exact Mass280.17
IUPAC Name(2R)-2-[(1R,2R)-1-methoxy-2-[(4-methoxyphenyl)methoxy]-3-methylbutyl]oxirane
SMILESCOc1ccc(CO[C@H](C(C)C)[C@@H](OC)[C@H]2CO2)cc1
InChIInChI=1S/C16H24O4/c1-11(2)15(16(18-4)14-10-19-14)20-9-12-5-7-13(17-3)8-6-12/h5-8,11,14-16H,9-10H2,1-4H3/t14-,15-,16+/m1/s1
InChIKeyRHNNRGBKYJIQQF-OAGGEKHMSA-N
XLogP2.65
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S)-3-[(4-methoxyphenyl)methoxy]-2,4-dimethylpentanal
CID 11118487
(2R)-2-[(1S)-2-[(4-methoxyphenyl)methoxy]-1-phenylmethoxyethyl]oxirane
CID 140633194
(2S)-2-[(1S)-1-[(4-methoxyphenyl)methoxy]tridecyl]oxirane
CID 10406372
methyl (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]-3-[(2R)-oxiran-2-yl]propanoate
CID 99772362
1-(1-bromoethoxymethyl)-4-methoxybenzene
CID 56989997
(E,4S,5S)-5-[(4-methoxyphenyl)methoxy]-4,6-dimethylhept-2-enal
CID 11346435
(2R)-2-[(4-methoxyphenyl)methoxy]propanal
CID 11138009
2-[1-(4-methoxyphenoxy)ethyl]oxirane
CID 20661059
(2S)-2-[(1S,2S)-2-[(2S)-oxiran-2-yl]-1,2-bis(phenylmethoxy)ethyl]oxirane
CID 11313389
(2R)-2-[(1S)-1-[(4-methoxyphenyl)methoxy]-5-phenylmethoxypentyl]oxirane
CID 24900146
1-[[(2S)-1-iodo-3-methylbutan-2-yl]oxymethyl]-4-methoxybenzene
CID 101441058
(2S,3S,4S)-2,3-bis[(4-methoxyphenyl)methoxy]pentane-1,4-diol
CID 121460426

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1R,2R)-1-methoxy-2-[(4-methoxyphenyl)methoxy]-3-methylbutyl]oxirane?
The IUPAC name of (2R)-2-[(1R,2R)-1-methoxy-2-[(4-methoxyphenyl)methoxy]-3-methylbutyl]oxirane (CID 11097940) is (2R)-2-[(1R,2R)-1-methoxy-2-[(4-methoxyphenyl)methoxy]-3-methylbutyl]oxirane.
What is the SMILES notation for (2R)-2-[(1R,2R)-1-methoxy-2-[(4-methoxyphenyl)methoxy]-3-methylbutyl]oxirane?
The canonical SMILES for (2R)-2-[(1R,2R)-1-methoxy-2-[(4-methoxyphenyl)methoxy]-3-methylbutyl]oxirane is COc1ccc(CO[C@H](C(C)C)[C@@H](OC)[C@H]2CO2)cc1.
What is the InChIKey of (2R)-2-[(1R,2R)-1-methoxy-2-[(4-methoxyphenyl)methoxy]-3-methylbutyl]oxirane?
The InChIKey is RHNNRGBKYJIQQF-OAGGEKHMSA-N. The full InChI is InChI=1S/C16H24O4/c1-11(2)15(16(18-4)14-10-19-14)20-9-12-5-7-13(17-3)8-6-12/h5-8,11,14-16H,9-10H2,1-4H3/t14-,15-,16+/m1/s1.
What are the key properties of (2R)-2-[(1R,2R)-1-methoxy-2-[(4-methoxyphenyl)methoxy]-3-methylbutyl]oxirane?
(2R)-2-[(1R,2R)-1-methoxy-2-[(4-methoxyphenyl)methoxy]-3-methylbutyl]oxirane has a molecular weight of 280.36 g/mol, XLogP of 2.65, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1R,2R)-1-methoxy-2-[(4-methoxyphenyl)methoxy]-3-methylbutyl]oxirane is sourced from PubChem (CID 11097940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).