6-[[hydroxy(phenyl)methoxy]methyl]-5-methyl-4-phenylmethoxyoxan-3-ol

C21H26O5 — CID 123411187

IUPAC6-[[hydroxy(phenyl)methoxy]methyl]-5-methyl-4-phenylmethoxyoxan-3-ol
SMILESCC1C(COC(O)c2ccccc2)OCC(O)C1OCc1ccccc1
InChIInChI=1S/C21H26O5/c1-15-19(14-26-21(23)17-10-6-3-7-11-17)24-13-18(22)20(15)25-12-16-8-4-2-5-9-16/h2-11,15,18-23H,12-14H2,1H3
InChIKeyXTPXYQVBLDWEMP-UHFFFAOYSA-N
MW358.43 g/mol
LogP2.68
Rot. Bonds7

About 6-[[hydroxy(phenyl)methoxy]methyl]-5-methyl-4-phenylmethoxyoxan-3-ol

6-[[hydroxy(phenyl)methoxy]methyl]-5-methyl-4-phenylmethoxyoxan-3-ol (PubChem CID 123411187) has the molecular formula C21H26O5 and a molecular weight of 358.43 g/mol. Its IUPAC name is 6-[[hydroxy(phenyl)methoxy]methyl]-5-methyl-4-phenylmethoxyoxan-3-ol.

Molecular Properties

Compound Name6-[[hydroxy(phenyl)methoxy]methyl]-5-methyl-4-phenylmethoxyoxan-3-ol
PubChem CID123411187
Molecular FormulaC21H26O5
Molecular Weight358.43 g/mol
Exact Mass358.18
IUPAC Name6-[[hydroxy(phenyl)methoxy]methyl]-5-methyl-4-phenylmethoxyoxan-3-ol
SMILESCC1C(COC(O)c2ccccc2)OCC(O)C1OCc1ccccc1
InChIInChI=1S/C21H26O5/c1-15-19(14-26-21(23)17-10-6-3-7-11-17)24-13-18(22)20(15)25-12-16-8-4-2-5-9-16/h2-11,15,18-23H,12-14H2,1H3
InChIKeyXTPXYQVBLDWEMP-UHFFFAOYSA-N
XLogP2.68
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.43
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(3R,4S,5R,6S)-5,6-dimethyl-4-phenylmethoxyoxan-3-ol
CID 122658990
(2S,3R,5S)-5-[hydroxy(phenyl)methoxy]-2-methyl-3-phenylmethoxyoxan-4-ol
CID 59032086
(3,5-dimethyloxan-2-yl)methoxy-phenylmethanol
CID 123637937
(3R,4R,5R)-5-(iodomethyl)-4-phenylmethoxyoxolan-3-ol
CID 10592798
[(3R,4R,5R,6S)-5-methyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]methanamine
CID 170420233
[(3S,4R)-5-acetamido-3-methyl-4-phenylmethoxyoxan-2-yl]methyl acetate
CID 66677372
[(3R,4R,5S,6R)-6-ethyl-5-methyl-4-phenylmethoxyoxan-3-yl]methanol
CID 174153826
(3R,4S,5S,6R)-6-ethyl-5-methyl-4-phenylmethoxyoxane-3-carboxylic acid
CID 174153806
(3S,4R,5S,6S,7S)-7-methoxy-4-methyl-5,6-bis(phenylmethoxy)oxepan-3-ol
CID 58510392
(3R,4S,5S)-5-[12-[(2S,3S,4R)-4-hydroxy-3-phenylmethoxyoxolan-2-yl]dodeca-1,3,5,7,9,11-hexaynyl]-4-phenylmethoxyoxolan-3-ol
CID 56600059
[(3S,4R)-5-acetamido-3-methyl-4-phenylmethoxyoxan-2-yl]methyl hydrogen sulfate
CID 87102883
2,2,2-trifluoro-N-[(3S,4S,5R,6S)-5-methyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
CID 174153791

Frequently Asked Questions

What is the IUPAC name of 6-[[hydroxy(phenyl)methoxy]methyl]-5-methyl-4-phenylmethoxyoxan-3-ol?
The IUPAC name of 6-[[hydroxy(phenyl)methoxy]methyl]-5-methyl-4-phenylmethoxyoxan-3-ol (CID 123411187) is 6-[[hydroxy(phenyl)methoxy]methyl]-5-methyl-4-phenylmethoxyoxan-3-ol.
What is the SMILES notation for 6-[[hydroxy(phenyl)methoxy]methyl]-5-methyl-4-phenylmethoxyoxan-3-ol?
The canonical SMILES for 6-[[hydroxy(phenyl)methoxy]methyl]-5-methyl-4-phenylmethoxyoxan-3-ol is CC1C(COC(O)c2ccccc2)OCC(O)C1OCc1ccccc1.
What is the InChIKey of 6-[[hydroxy(phenyl)methoxy]methyl]-5-methyl-4-phenylmethoxyoxan-3-ol?
The InChIKey is XTPXYQVBLDWEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O5/c1-15-19(14-26-21(23)17-10-6-3-7-11-17)24-13-18(22)20(15)25-12-16-8-4-2-5-9-16/h2-11,15,18-23H,12-14H2,1H3.
What are the key properties of 6-[[hydroxy(phenyl)methoxy]methyl]-5-methyl-4-phenylmethoxyoxan-3-ol?
6-[[hydroxy(phenyl)methoxy]methyl]-5-methyl-4-phenylmethoxyoxan-3-ol has a molecular weight of 358.43 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[hydroxy(phenyl)methoxy]methyl]-5-methyl-4-phenylmethoxyoxan-3-ol is sourced from PubChem (CID 123411187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).