4-[[4-[(4-hydroxy-3-methoxyphenyl)-methoxymethyl]-2-methoxyoxolan-3-yl]methyl]-2-methoxyphenol

C22H28O7 — CID 163027806

IUPAC4-[[4-[(4-hydroxy-3-methoxyphenyl)-methoxymethyl]-2-methoxyoxolan-3-yl]methyl]-2-methoxyphenol
SMILESCOc1cc(CC2C(OC)OCC2C(OC)c2ccc(O)c(OC)c2)ccc1O
InChIInChI=1S/C22H28O7/c1-25-19-10-13(5-7-17(19)23)9-15-16(12-29-22(15)28-4)21(27-3)14-6-8-18(24)20(11-14)26-2/h5-8,10-11,15-16,21-24H,9,12H2,1-4H3
InChIKeyYCVHVPIQJHDUCW-UHFFFAOYSA-N
MW404.46 g/mol
LogP3.28
Rot. Bonds8

About 4-[[4-[(4-hydroxy-3-methoxyphenyl)-methoxymethyl]-2-methoxyoxolan-3-yl]methyl]-2-methoxyphenol

4-[[4-[(4-hydroxy-3-methoxyphenyl)-methoxymethyl]-2-methoxyoxolan-3-yl]methyl]-2-methoxyphenol (PubChem CID 163027806) has the molecular formula C22H28O7 and a molecular weight of 404.46 g/mol. Its IUPAC name is 4-[[4-[(4-hydroxy-3-methoxyphenyl)-methoxymethyl]-2-methoxyoxolan-3-yl]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[[4-[(4-hydroxy-3-methoxyphenyl)-methoxymethyl]-2-methoxyoxolan-3-yl]methyl]-2-methoxyphenol
PubChem CID163027806
Molecular FormulaC22H28O7
Molecular Weight404.46 g/mol
Exact Mass404.18
IUPAC Name4-[[4-[(4-hydroxy-3-methoxyphenyl)-methoxymethyl]-2-methoxyoxolan-3-yl]methyl]-2-methoxyphenol
SMILESCOc1cc(CC2C(OC)OCC2C(OC)c2ccc(O)c(OC)c2)ccc1O
InChIInChI=1S/C22H28O7/c1-25-19-10-13(5-7-17(19)23)9-15-16(12-29-22(15)28-4)21(27-3)14-6-8-18(24)20(11-14)26-2/h5-8,10-11,15-16,21-24H,9,12H2,1-4H3
InChIKeyYCVHVPIQJHDUCW-UHFFFAOYSA-N
XLogP3.28
TPSA86.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.46
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[[4-[(4-hydroxy-3-methoxyphenyl)-methoxymethyl]-2-methoxyoxolan-3-yl]methyl]-2-methoxyphenol with MolForge

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Related Compounds

(3R,4S)-3-[(4-hydroxy-3-methoxyphenyl)methyl]-4-[(R)-(4-hydroxy-3-methoxyphenyl)-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxolan-2-one
CID 102190930
4-[4-[1-(4-hydroxy-3-methoxyphenyl)ethyl]-3-(hydroxymethyl)oxolan-2-yl]-2-methoxyphenol
CID 70849141
(3R,4S,5R,6R)-5-[(1R,2S)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)propoxy]-6-methoxyoxane-3,4-diol
CID 10790366
(2R,3R,4R,5R)-5-[(1S,2R)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)propoxy]-2-methoxyoxane-3,4-diol
CID 10790368
4-[[(3R,4R,5S)-4-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)oxolan-3-yl]methyl]-2-methoxyphenol
CID 14655034
4-(hydroxymethyl)-2-methoxyphenol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 175343133
(3R,4S,5S)-3-[2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)ethyl]oxane-2,4,5-triol
CID 25116583
(3S,4S)-3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one;(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one;(3S,4S)-4-[(S)-hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one;4-[[(3S,4S,5R)-5-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]methyl]-2-methoxyphenol
CID 159825283
(3R,4S)-3-hydroxy-3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
CID 14159539
4-[(2R,5S,6S)-6-[(2S,5S,6R)-5-(4-hydroxy-3,5-dimethoxyphenyl)-2-[(R)-hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]-1,4-dioxepan-6-yl]-2-[(S)-hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]-1,4-dioxepan-5-yl]-2,6-dimethoxyphenol
CID 162921704
(3S,4R)-4-[(R)-hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]-3-[(S)-hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
CID 101250001
(2R,3S,4S,5R)-2-[2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)ethyl]oxane-3,4,5-triol
CID 11993025

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(4-hydroxy-3-methoxyphenyl)-methoxymethyl]-2-methoxyoxolan-3-yl]methyl]-2-methoxyphenol?
The IUPAC name of 4-[[4-[(4-hydroxy-3-methoxyphenyl)-methoxymethyl]-2-methoxyoxolan-3-yl]methyl]-2-methoxyphenol (CID 163027806) is 4-[[4-[(4-hydroxy-3-methoxyphenyl)-methoxymethyl]-2-methoxyoxolan-3-yl]methyl]-2-methoxyphenol.
What is the SMILES notation for 4-[[4-[(4-hydroxy-3-methoxyphenyl)-methoxymethyl]-2-methoxyoxolan-3-yl]methyl]-2-methoxyphenol?
The canonical SMILES for 4-[[4-[(4-hydroxy-3-methoxyphenyl)-methoxymethyl]-2-methoxyoxolan-3-yl]methyl]-2-methoxyphenol is COc1cc(CC2C(OC)OCC2C(OC)c2ccc(O)c(OC)c2)ccc1O.
What is the InChIKey of 4-[[4-[(4-hydroxy-3-methoxyphenyl)-methoxymethyl]-2-methoxyoxolan-3-yl]methyl]-2-methoxyphenol?
The InChIKey is YCVHVPIQJHDUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O7/c1-25-19-10-13(5-7-17(19)23)9-15-16(12-29-22(15)28-4)21(27-3)14-6-8-18(24)20(11-14)26-2/h5-8,10-11,15-16,21-24H,9,12H2,1-4H3.
What are the key properties of 4-[[4-[(4-hydroxy-3-methoxyphenyl)-methoxymethyl]-2-methoxyoxolan-3-yl]methyl]-2-methoxyphenol?
4-[[4-[(4-hydroxy-3-methoxyphenyl)-methoxymethyl]-2-methoxyoxolan-3-yl]methyl]-2-methoxyphenol has a molecular weight of 404.46 g/mol, XLogP of 3.28, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(4-hydroxy-3-methoxyphenyl)-methoxymethyl]-2-methoxyoxolan-3-yl]methyl]-2-methoxyphenol is sourced from PubChem (CID 163027806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).