(2R)-2-[(1S)-1-[(4-methoxyphenyl)methoxy]-5-phenylmethoxypentyl]oxirane

C22H28O4 — CID 24900146

IUPAC(2R)-2-[(1S)-1-[(4-methoxyphenyl)methoxy]-5-phenylmethoxypentyl]oxirane
SMILESCOc1ccc(CO[C@@H](CCCCOCc2ccccc2)[C@H]2CO2)cc1
InChIInChI=1S/C22H28O4/c1-23-20-12-10-19(11-13-20)16-25-21(22-17-26-22)9-5-6-14-24-15-18-7-3-2-4-8-18/h2-4,7-8,10-13,21-22H,5-6,9,14-17H2,1H3/t21-,22+/m0/s1
InChIKeyOUGJLBTVSKJEMQ-FCHUYYIVSA-N
MW356.46 g/mol
LogP4.37
Rot. Bonds12

About (2R)-2-[(1S)-1-[(4-methoxyphenyl)methoxy]-5-phenylmethoxypentyl]oxirane

(2R)-2-[(1S)-1-[(4-methoxyphenyl)methoxy]-5-phenylmethoxypentyl]oxirane (PubChem CID 24900146) has the molecular formula C22H28O4 and a molecular weight of 356.46 g/mol. Its IUPAC name is (2R)-2-[(1S)-1-[(4-methoxyphenyl)methoxy]-5-phenylmethoxypentyl]oxirane.

Molecular Properties

Compound Name(2R)-2-[(1S)-1-[(4-methoxyphenyl)methoxy]-5-phenylmethoxypentyl]oxirane
PubChem CID24900146
Molecular FormulaC22H28O4
Molecular Weight356.46 g/mol
Exact Mass356.20
IUPAC Name(2R)-2-[(1S)-1-[(4-methoxyphenyl)methoxy]-5-phenylmethoxypentyl]oxirane
SMILESCOc1ccc(CO[C@@H](CCCCOCc2ccccc2)[C@H]2CO2)cc1
InChIInChI=1S/C22H28O4/c1-23-20-12-10-19(11-13-20)16-25-21(22-17-26-22)9-5-6-14-24-15-18-7-3-2-4-8-18/h2-4,7-8,10-13,21-22H,5-6,9,14-17H2,1H3/t21-,22+/m0/s1
InChIKeyOUGJLBTVSKJEMQ-FCHUYYIVSA-N
XLogP4.37
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[(1S)-2-[(4-methoxyphenyl)methoxy]-1-phenylmethoxyethyl]oxirane
CID 140633194
(2S)-2-[(1S)-1-[(4-methoxyphenyl)methoxy]tridecyl]oxirane
CID 10406372
1-methoxy-4-(7-phenylmethoxyheptoxymethyl)benzene
CID 101026265
6-[(4-methoxyphenyl)methoxy]hexyl-triphenylphosphanium bromide
CID 10602993
(3R,4R,5S,6R)-6-[(4-methoxyphenyl)methoxy]-3,5-dimethyl-10-phenylmethoxydec-1-en-4-ol
CID 101054913
(4S,5S)-4-[3-[(4-methoxyphenyl)methoxy]propyl]-2-phenyl-1,3-dioxan-5-ol
CID 11268344
2-(2-bromo-1-phenylmethoxyethyl)oxirane
CID 562170
1-[[(1S,2S,3S,4R,5S,6R)-2,5-bis[(4-methoxyphenyl)methoxy]-3,4,6-tris(phenylmethoxy)cyclohexyl]oxymethyl]-4-methoxybenzene
CID 11764294
(2R,3S,4S,5S,6S)-2-[(1R)-1,2-bis(phenylmethoxy)ethyl]-6-methoxy-5-[(4-methoxyphenyl)methoxy]-3,4-bis(phenylmethoxy)oxane
CID 101344107
1-methoxy-4-[[(2R,3R,4R,5R)-4-[(4-methoxyphenyl)methoxy]-1,2,5,6-tetrakis(phenylmethoxy)hexan-3-yl]oxymethyl]benzene
CID 10985612
2-[(2R,3S,6R)-3-hydroxy-6-[(1R,6S)-1,6,8-tris(phenylmethoxy)octyl]oxan-2-yl]acetic acid
CID 134872436
(1R)-1-[(2R,3S,4R)-3,4-bis(phenylmethoxy)pyrrolidin-2-yl]-4-[(4-methoxyphenyl)methoxy]butan-1-ol
CID 11409253

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1S)-1-[(4-methoxyphenyl)methoxy]-5-phenylmethoxypentyl]oxirane?
The IUPAC name of (2R)-2-[(1S)-1-[(4-methoxyphenyl)methoxy]-5-phenylmethoxypentyl]oxirane (CID 24900146) is (2R)-2-[(1S)-1-[(4-methoxyphenyl)methoxy]-5-phenylmethoxypentyl]oxirane.
What is the SMILES notation for (2R)-2-[(1S)-1-[(4-methoxyphenyl)methoxy]-5-phenylmethoxypentyl]oxirane?
The canonical SMILES for (2R)-2-[(1S)-1-[(4-methoxyphenyl)methoxy]-5-phenylmethoxypentyl]oxirane is COc1ccc(CO[C@@H](CCCCOCc2ccccc2)[C@H]2CO2)cc1.
What is the InChIKey of (2R)-2-[(1S)-1-[(4-methoxyphenyl)methoxy]-5-phenylmethoxypentyl]oxirane?
The InChIKey is OUGJLBTVSKJEMQ-FCHUYYIVSA-N. The full InChI is InChI=1S/C22H28O4/c1-23-20-12-10-19(11-13-20)16-25-21(22-17-26-22)9-5-6-14-24-15-18-7-3-2-4-8-18/h2-4,7-8,10-13,21-22H,5-6,9,14-17H2,1H3/t21-,22+/m0/s1.
What are the key properties of (2R)-2-[(1S)-1-[(4-methoxyphenyl)methoxy]-5-phenylmethoxypentyl]oxirane?
(2R)-2-[(1S)-1-[(4-methoxyphenyl)methoxy]-5-phenylmethoxypentyl]oxirane has a molecular weight of 356.46 g/mol, XLogP of 4.37, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1S)-1-[(4-methoxyphenyl)methoxy]-5-phenylmethoxypentyl]oxirane is sourced from PubChem (CID 24900146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).