4-[[4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-3-yl]methyl]-2-methoxybenzene-1,3-diol

C20H24O6 — CID 171905349

IUPAC4-[[4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-3-yl]methyl]-2-methoxybenzene-1,3-diol
SMILESCOc1cc(CC2COCC2Cc2ccc(O)c(OC)c2O)ccc1O
InChIInChI=1S/C20H24O6/c1-24-18-8-12(3-5-16(18)21)7-14-10-26-11-15(14)9-13-4-6-17(22)20(25-2)19(13)23/h3-6,8,14-15,21-23H,7,9-11H2,1-2H3
InChIKeyORIFDWGXHJEAMF-UHFFFAOYSA-N
MW360.41 g/mol
LogP2.87
Rot. Bonds6

About 4-[[4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-3-yl]methyl]-2-methoxybenzene-1,3-diol

4-[[4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-3-yl]methyl]-2-methoxybenzene-1,3-diol (PubChem CID 171905349) has the molecular formula C20H24O6 and a molecular weight of 360.41 g/mol. Its IUPAC name is 4-[[4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-3-yl]methyl]-2-methoxybenzene-1,3-diol.

Molecular Properties

Compound Name4-[[4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-3-yl]methyl]-2-methoxybenzene-1,3-diol
PubChem CID171905349
Molecular FormulaC20H24O6
Molecular Weight360.41 g/mol
Exact Mass360.16
IUPAC Name4-[[4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-3-yl]methyl]-2-methoxybenzene-1,3-diol
SMILESCOc1cc(CC2COCC2Cc2ccc(O)c(OC)c2O)ccc1O
InChIInChI=1S/C20H24O6/c1-24-18-8-12(3-5-16(18)21)7-14-10-26-11-15(14)9-13-4-6-17(22)20(25-2)19(13)23/h3-6,8,14-15,21-23H,7,9-11H2,1-2H3
InChIKeyORIFDWGXHJEAMF-UHFFFAOYSA-N
XLogP2.87
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[[4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-3-yl]methyl]-2-methoxybenzene-1,3-diol with MolForge

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Related Compounds

4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one
CID 78201091
4-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
CID 163046461
3-[(3,4-dihydroxyphenyl)methyl]-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
CID 73409570
4-[[(3R,4R,5S)-4-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)oxolan-3-yl]methyl]-2-methoxyphenol
CID 14655034
4-[[4-hydroxy-3-(hydroxymethyl)phenyl]methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
CID 90277082
(3S,4S)-3-[(3-hydroxy-4-methoxyphenyl)methyl]-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
CID 11210543
(3R,4R)-4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-[(4-hydroxyphenyl)methyl]oxolan-2-one
CID 10853716
[4-[[(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]oxolan-3-yl]methyl]-2-methoxyphenyl] butanoate
CID 71712571
(3R,4R)-3-[[3-[5-[[(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-2-oxooxolan-3-yl]methyl]-2-hydroxy-3-methoxyphenyl]-4-hydroxy-5-methoxyphenyl]methyl]-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
CID 155531872
(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one;propanoate
CID 131742255
3-[(4-hydroxy-3-methoxyphenyl)methyl]-4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]oxolan-2-one
CID 72957977
(4-benzyl-3-methoxyphenyl)-[(3R,4R)-4-[(4-benzyl-3-methoxyphenyl)methyl]oxolan-3-yl]methanone
CID 11641943

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-3-yl]methyl]-2-methoxybenzene-1,3-diol?
The IUPAC name of 4-[[4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-3-yl]methyl]-2-methoxybenzene-1,3-diol (CID 171905349) is 4-[[4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-3-yl]methyl]-2-methoxybenzene-1,3-diol.
What is the SMILES notation for 4-[[4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-3-yl]methyl]-2-methoxybenzene-1,3-diol?
The canonical SMILES for 4-[[4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-3-yl]methyl]-2-methoxybenzene-1,3-diol is COc1cc(CC2COCC2Cc2ccc(O)c(OC)c2O)ccc1O.
What is the InChIKey of 4-[[4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-3-yl]methyl]-2-methoxybenzene-1,3-diol?
The InChIKey is ORIFDWGXHJEAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O6/c1-24-18-8-12(3-5-16(18)21)7-14-10-26-11-15(14)9-13-4-6-17(22)20(25-2)19(13)23/h3-6,8,14-15,21-23H,7,9-11H2,1-2H3.
What are the key properties of 4-[[4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-3-yl]methyl]-2-methoxybenzene-1,3-diol?
4-[[4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-3-yl]methyl]-2-methoxybenzene-1,3-diol has a molecular weight of 360.41 g/mol, XLogP of 2.87, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-3-yl]methyl]-2-methoxybenzene-1,3-diol is sourced from PubChem (CID 171905349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).