5-[(2R)-oxan-2-yl]oxy-1-phenylmethoxypentan-2-ol

C17H26O4 — CID 67866640

IUPAC5-[(2R)-oxan-2-yl]oxy-1-phenylmethoxypentan-2-ol
SMILESOC(CCCO[C@@H]1CCCCO1)COCc1ccccc1
InChIInChI=1S/C17H26O4/c18-16(14-19-13-15-7-2-1-3-8-15)9-6-12-21-17-10-4-5-11-20-17/h1-3,7-8,16-18H,4-6,9-14H2/t16?,17-/m1/s1
InChIKeyMIYIFFLKBWXPIU-ZYMOGRSISA-N
MW294.39 g/mol
LogP2.89
Rot. Bonds9

About 5-[(2R)-oxan-2-yl]oxy-1-phenylmethoxypentan-2-ol

5-[(2R)-oxan-2-yl]oxy-1-phenylmethoxypentan-2-ol (PubChem CID 67866640) has the molecular formula C17H26O4 and a molecular weight of 294.39 g/mol. Its IUPAC name is 5-[(2R)-oxan-2-yl]oxy-1-phenylmethoxypentan-2-ol.

Molecular Properties

Compound Name5-[(2R)-oxan-2-yl]oxy-1-phenylmethoxypentan-2-ol
PubChem CID67866640
Molecular FormulaC17H26O4
Molecular Weight294.39 g/mol
Exact Mass294.18
IUPAC Name5-[(2R)-oxan-2-yl]oxy-1-phenylmethoxypentan-2-ol
SMILESOC(CCCO[C@@H]1CCCCO1)COCc1ccccc1
InChIInChI=1S/C17H26O4/c18-16(14-19-13-15-7-2-1-3-8-15)9-6-12-21-17-10-4-5-11-20-17/h1-3,7-8,16-18H,4-6,9-14H2/t16?,17-/m1/s1
InChIKeyMIYIFFLKBWXPIU-ZYMOGRSISA-N
XLogP2.89
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(3S)-3-methyl-8-phenylmethoxyoctoxy]oxane
CID 11977298
2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]oxane
CID 165126969
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxane
CID 162640826
2-[2-(1-phenylmethoxypropan-2-yloxy)ethoxy]oxane
CID 174202600
1,3-bis[4-(oxan-2-yloxy)butoxy]propan-2-ol
CID 171403121
2-[(2R)-3,3,3-trifluoro-2-(phenylmethoxymethyl)propoxy]oxane
CID 10495766
(5S)-5-(oxan-2-yloxy)-6-phenylmethoxyhexan-1-ol
CID 10590934
2-[2-[(3S)-3-phenylmethoxybutoxy]ethoxy]oxane
CID 165127390
benzyl (2S)-2-amino-4-(oxan-2-yloxy)butanoate
CID 70956918
2-[2-[3-(4-phenylbutoxymethyl)phenyl]ethoxy]oxane
CID 69438064
2-[(2R)-3-hexadecoxy-2-phenylmethoxypropoxy]oxane
CID 10323317
2-[2-[2-(4-phenylmethoxyphenoxy)ethoxy]ethoxy]oxane
CID 168915283

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-oxan-2-yl]oxy-1-phenylmethoxypentan-2-ol?
The IUPAC name of 5-[(2R)-oxan-2-yl]oxy-1-phenylmethoxypentan-2-ol (CID 67866640) is 5-[(2R)-oxan-2-yl]oxy-1-phenylmethoxypentan-2-ol.
What is the SMILES notation for 5-[(2R)-oxan-2-yl]oxy-1-phenylmethoxypentan-2-ol?
The canonical SMILES for 5-[(2R)-oxan-2-yl]oxy-1-phenylmethoxypentan-2-ol is OC(CCCO[C@@H]1CCCCO1)COCc1ccccc1.
What is the InChIKey of 5-[(2R)-oxan-2-yl]oxy-1-phenylmethoxypentan-2-ol?
The InChIKey is MIYIFFLKBWXPIU-ZYMOGRSISA-N. The full InChI is InChI=1S/C17H26O4/c18-16(14-19-13-15-7-2-1-3-8-15)9-6-12-21-17-10-4-5-11-20-17/h1-3,7-8,16-18H,4-6,9-14H2/t16?,17-/m1/s1.
What are the key properties of 5-[(2R)-oxan-2-yl]oxy-1-phenylmethoxypentan-2-ol?
5-[(2R)-oxan-2-yl]oxy-1-phenylmethoxypentan-2-ol has a molecular weight of 294.39 g/mol, XLogP of 2.89, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-oxan-2-yl]oxy-1-phenylmethoxypentan-2-ol is sourced from PubChem (CID 67866640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).