2-methoxy-6-[(4-phenylmethoxyphenyl)methoxymethyl]oxan-4-ol

C21H26O5 — CID 142600806

IUPAC2-methoxy-6-[(4-phenylmethoxyphenyl)methoxymethyl]oxan-4-ol
SMILESCOC1CC(O)CC(COCc2ccc(OCc3ccccc3)cc2)O1
InChIInChI=1S/C21H26O5/c1-23-21-12-18(22)11-20(26-21)15-24-13-17-7-9-19(10-8-17)25-14-16-5-3-2-4-6-16/h2-10,18,20-22H,11-15H2,1H3
InChIKeyLNDAJLOCPMUGTD-UHFFFAOYSA-N
MW358.43 g/mol
LogP3.29
Rot. Bonds8

About 2-methoxy-6-[(4-phenylmethoxyphenyl)methoxymethyl]oxan-4-ol

2-methoxy-6-[(4-phenylmethoxyphenyl)methoxymethyl]oxan-4-ol (PubChem CID 142600806) has the molecular formula C21H26O5 and a molecular weight of 358.43 g/mol. Its IUPAC name is 2-methoxy-6-[(4-phenylmethoxyphenyl)methoxymethyl]oxan-4-ol.

Molecular Properties

Compound Name2-methoxy-6-[(4-phenylmethoxyphenyl)methoxymethyl]oxan-4-ol
PubChem CID142600806
Molecular FormulaC21H26O5
Molecular Weight358.43 g/mol
Exact Mass358.18
IUPAC Name2-methoxy-6-[(4-phenylmethoxyphenyl)methoxymethyl]oxan-4-ol
SMILESCOC1CC(O)CC(COCc2ccc(OCc3ccccc3)cc2)O1
InChIInChI=1S/C21H26O5/c1-23-21-12-18(22)11-20(26-21)15-24-13-17-7-9-19(10-8-17)25-14-16-5-3-2-4-6-16/h2-10,18,20-22H,11-15H2,1H3
InChIKeyLNDAJLOCPMUGTD-UHFFFAOYSA-N
XLogP3.29
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.43
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3R,5S)-5-methoxy-2-(phenylmethoxymethyl)oxolan-3-ol
CID 10977493
(4-hydroxy-6-methoxyoxan-2-yl)methyl 3,5-dimethyl-4-phenylmethoxybenzoate
CID 142600396
(3S,5S)-2-methoxy-3-methyl-5-(phenylmethoxymethyl)oxolane
CID 71070891
(2R,3R,5S)-3-fluoro-5-methoxy-2-(phenylmethoxymethyl)oxolane
CID 91316153
(1R,2R,4S,6R)-2-methoxy-4-(phenylmethoxymethyl)-3,7-dioxabicyclo[4.1.0]heptane
CID 10955968
1-(cyclobutylmethoxymethyl)-4-phenylmethoxybenzene
CID 125465491
(2R,3R,4S,5S)-7-methoxy-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxepane
CID 58940191
(6S)-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-ol
CID 146358765
(2R,3R)-2-ethenyl-5-methoxy-3-(phenylmethoxymethyl)oxolane
CID 10944791
(2S,3S,4S,6S)-2-methoxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 11037694
(2R,3R,4R,6R)-2-(2-methoxyethoxy)-6-(phenylmethoxymethyl)oxane-3,4-diol
CID 101172024
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[(4-phenylmethoxyphenyl)methoxymethyl]oxan-4-ol?
The IUPAC name of 2-methoxy-6-[(4-phenylmethoxyphenyl)methoxymethyl]oxan-4-ol (CID 142600806) is 2-methoxy-6-[(4-phenylmethoxyphenyl)methoxymethyl]oxan-4-ol.
What is the SMILES notation for 2-methoxy-6-[(4-phenylmethoxyphenyl)methoxymethyl]oxan-4-ol?
The canonical SMILES for 2-methoxy-6-[(4-phenylmethoxyphenyl)methoxymethyl]oxan-4-ol is COC1CC(O)CC(COCc2ccc(OCc3ccccc3)cc2)O1.
What is the InChIKey of 2-methoxy-6-[(4-phenylmethoxyphenyl)methoxymethyl]oxan-4-ol?
The InChIKey is LNDAJLOCPMUGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O5/c1-23-21-12-18(22)11-20(26-21)15-24-13-17-7-9-19(10-8-17)25-14-16-5-3-2-4-6-16/h2-10,18,20-22H,11-15H2,1H3.
What are the key properties of 2-methoxy-6-[(4-phenylmethoxyphenyl)methoxymethyl]oxan-4-ol?
2-methoxy-6-[(4-phenylmethoxyphenyl)methoxymethyl]oxan-4-ol has a molecular weight of 358.43 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[(4-phenylmethoxyphenyl)methoxymethyl]oxan-4-ol is sourced from PubChem (CID 142600806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).