2-(3,4-dimethoxyphenyl)-1-[5-[(3,4-dimethoxyphenyl)methyl]-4-methyloxolan-3-yl]ethanol

C24H32O6 — CID 162970807

IUPAC2-(3,4-dimethoxyphenyl)-1-[5-[(3,4-dimethoxyphenyl)methyl]-4-methyloxolan-3-yl]ethanol
SMILESCOc1ccc(CC(O)C2COC(Cc3ccc(OC)c(OC)c3)C2C)cc1OC
InChIInChI=1S/C24H32O6/c1-15-18(19(25)10-16-6-8-20(26-2)23(12-16)28-4)14-30-22(15)11-17-7-9-21(27-3)24(13-17)29-5/h6-9,12-13,15,18-19,22,25H,10-11,14H2,1-5H3
InChIKeySWGSNNIJAYRWAL-UHFFFAOYSA-N
MW416.51 g/mol
LogP3.52
Rot. Bonds9

About 2-(3,4-dimethoxyphenyl)-1-[5-[(3,4-dimethoxyphenyl)methyl]-4-methyloxolan-3-yl]ethanol

2-(3,4-dimethoxyphenyl)-1-[5-[(3,4-dimethoxyphenyl)methyl]-4-methyloxolan-3-yl]ethanol (PubChem CID 162970807) has the molecular formula C24H32O6 and a molecular weight of 416.51 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-1-[5-[(3,4-dimethoxyphenyl)methyl]-4-methyloxolan-3-yl]ethanol.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-1-[5-[(3,4-dimethoxyphenyl)methyl]-4-methyloxolan-3-yl]ethanol
PubChem CID162970807
Molecular FormulaC24H32O6
Molecular Weight416.51 g/mol
Exact Mass416.22
IUPAC Name2-(3,4-dimethoxyphenyl)-1-[5-[(3,4-dimethoxyphenyl)methyl]-4-methyloxolan-3-yl]ethanol
SMILESCOc1ccc(CC(O)C2COC(Cc3ccc(OC)c(OC)c3)C2C)cc1OC
InChIInChI=1S/C24H32O6/c1-15-18(19(25)10-16-6-8-20(26-2)23(12-16)28-4)14-30-22(15)11-17-7-9-21(27-3)24(13-17)29-5/h6-9,12-13,15,18-19,22,25H,10-11,14H2,1-5H3
InChIKeySWGSNNIJAYRWAL-UHFFFAOYSA-N
XLogP3.52
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.51
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(3,4-dimethoxyphenyl)-1-[5-[(3,4-dimethoxyphenyl)methyl]-4-methyloxolan-3-yl]ethanol with MolForge

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Related Compounds

2-[(3,4-dimethoxyphenyl)methyl]-1,3-dioxolane
CID 24727770
2-(3,4-dimethoxyphenyl)-1-(2-methylcyclopropyl)ethanamine
CID 61078294
2-(3-bromo-4-methoxyphenyl)-1-(5-methyloxolan-3-yl)ethanol
CID 115779418
4-[(2R,3R)-4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-1,2-dimethoxybenzene
CID 515707
(2S)-2-[(3,4-dimethoxyphenyl)methyl]-2,5-dihydrofuran
CID 135056530
2-[1-(3,4-dimethoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid
CID 83928902
(2R)-3-(3,4-dimethoxyphenyl)-2-hydroxypropanoic acid
CID 14163336
(3R)-4-(3,4-dimethoxyphenyl)-3-hydroxybutan-2-one
CID 130440860
1-(3,4-dimethoxyphenyl)-3-methylpentan-2-ol
CID 63018781
4-(3,4-dimethoxyphenyl)-3-hydroxybutan-2-one
CID 11276143
4-(2-bromo-2-cyclopentylethyl)-1,2-dimethoxybenzene
CID 63017232
4-[2-bromo-2-(2-methylcyclopentyl)ethyl]-1,2-dimethoxybenzene
CID 107183641

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-1-[5-[(3,4-dimethoxyphenyl)methyl]-4-methyloxolan-3-yl]ethanol?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-1-[5-[(3,4-dimethoxyphenyl)methyl]-4-methyloxolan-3-yl]ethanol (CID 162970807) is 2-(3,4-dimethoxyphenyl)-1-[5-[(3,4-dimethoxyphenyl)methyl]-4-methyloxolan-3-yl]ethanol.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-1-[5-[(3,4-dimethoxyphenyl)methyl]-4-methyloxolan-3-yl]ethanol?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-1-[5-[(3,4-dimethoxyphenyl)methyl]-4-methyloxolan-3-yl]ethanol is COc1ccc(CC(O)C2COC(Cc3ccc(OC)c(OC)c3)C2C)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-1-[5-[(3,4-dimethoxyphenyl)methyl]-4-methyloxolan-3-yl]ethanol?
The InChIKey is SWGSNNIJAYRWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32O6/c1-15-18(19(25)10-16-6-8-20(26-2)23(12-16)28-4)14-30-22(15)11-17-7-9-21(27-3)24(13-17)29-5/h6-9,12-13,15,18-19,22,25H,10-11,14H2,1-5H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-1-[5-[(3,4-dimethoxyphenyl)methyl]-4-methyloxolan-3-yl]ethanol?
2-(3,4-dimethoxyphenyl)-1-[5-[(3,4-dimethoxyphenyl)methyl]-4-methyloxolan-3-yl]ethanol has a molecular weight of 416.51 g/mol, XLogP of 3.52, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-1-[5-[(3,4-dimethoxyphenyl)methyl]-4-methyloxolan-3-yl]ethanol is sourced from PubChem (CID 162970807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).