2-[6,7-bis(4-methoxy-3-methylphenyl)-1,3-benzodioxol-4-yl]ethanol

C25H26O5 — CID 57197865

IUPAC2-[6,7-bis(4-methoxy-3-methylphenyl)-1,3-benzodioxol-4-yl]ethanol
SMILESCOc1ccc(-c2cc(CCO)c3c(c2-c2ccc(OC)c(C)c2)OCO3)cc1C
InChIInChI=1S/C25H26O5/c1-15-11-17(5-7-21(15)27-3)20-13-19(9-10-26)24-25(30-14-29-24)23(20)18-6-8-22(28-4)16(2)12-18/h5-8,11-13,26H,9-10,14H2,1-4H3
InChIKeyUKIDJMGZVIPTTJ-UHFFFAOYSA-N
MW406.48 g/mol
LogP4.92
Rot. Bonds6

About 2-[6,7-bis(4-methoxy-3-methylphenyl)-1,3-benzodioxol-4-yl]ethanol

2-[6,7-bis(4-methoxy-3-methylphenyl)-1,3-benzodioxol-4-yl]ethanol (PubChem CID 57197865) has the molecular formula C25H26O5 and a molecular weight of 406.48 g/mol. Its IUPAC name is 2-[6,7-bis(4-methoxy-3-methylphenyl)-1,3-benzodioxol-4-yl]ethanol.

Molecular Properties

Compound Name2-[6,7-bis(4-methoxy-3-methylphenyl)-1,3-benzodioxol-4-yl]ethanol
PubChem CID57197865
Molecular FormulaC25H26O5
Molecular Weight406.48 g/mol
Exact Mass406.18
IUPAC Name2-[6,7-bis(4-methoxy-3-methylphenyl)-1,3-benzodioxol-4-yl]ethanol
SMILESCOc1ccc(-c2cc(CCO)c3c(c2-c2ccc(OC)c(C)c2)OCO3)cc1C
InChIInChI=1S/C25H26O5/c1-15-11-17(5-7-21(15)27-3)20-13-19(9-10-26)24-25(30-14-29-24)23(20)18-6-8-22(28-4)16(2)12-18/h5-8,11-13,26H,9-10,14H2,1-4H3
InChIKeyUKIDJMGZVIPTTJ-UHFFFAOYSA-N
XLogP4.92
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2,3-bis(4-methoxy-3-methylphenyl)phenyl]ethanol
CID 173306019
2-(6-methoxy-7-methyl-1,3-benzodioxol-4-yl)ethanol
CID 142077480
4,5-bis(4-methoxyphenyl)-7-propyl-1,3-benzodioxole
CID 57106396
2,4-dimethoxy-1,3-bis(4-methoxy-3-methylphenyl)-5-propylbenzene
CID 173310858
2-[5-bromo-2-(4-methoxy-3-methylphenyl)-1-methylimidazol-4-yl]ethanol
CID 84606373
2-[6-(4-methoxy-3-methylphenyl)-2,3-dihydro-1,4-benzodioxin-7-yl]acetic acid
CID 167983424
2-methoxy-5-[5-(7-methyl-1,3-benzodioxol-5-yl)-2H-triazol-4-yl]benzenethiol
CID 58066614
methane;1-methoxy-4-(4-methoxy-3-methylphenyl)-2-methylbenzene
CID 161175155
[3-(4-methoxy-3-methylphenyl)-5-methyl-1,2-oxazol-4-yl]methanol
CID 82371289
2-[7-(methoxymethyl)-1,3-benzodioxol-4-yl]ethanol
CID 117300085
2-(4-methoxy-3-methylphenyl)phenol
CID 53218559
1,2,3,4,5-pentafluoro-6-(4-methoxy-3-methylphenyl)benzene
CID 134628428

Frequently Asked Questions

What is the IUPAC name of 2-[6,7-bis(4-methoxy-3-methylphenyl)-1,3-benzodioxol-4-yl]ethanol?
The IUPAC name of 2-[6,7-bis(4-methoxy-3-methylphenyl)-1,3-benzodioxol-4-yl]ethanol (CID 57197865) is 2-[6,7-bis(4-methoxy-3-methylphenyl)-1,3-benzodioxol-4-yl]ethanol.
What is the SMILES notation for 2-[6,7-bis(4-methoxy-3-methylphenyl)-1,3-benzodioxol-4-yl]ethanol?
The canonical SMILES for 2-[6,7-bis(4-methoxy-3-methylphenyl)-1,3-benzodioxol-4-yl]ethanol is COc1ccc(-c2cc(CCO)c3c(c2-c2ccc(OC)c(C)c2)OCO3)cc1C.
What is the InChIKey of 2-[6,7-bis(4-methoxy-3-methylphenyl)-1,3-benzodioxol-4-yl]ethanol?
The InChIKey is UKIDJMGZVIPTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26O5/c1-15-11-17(5-7-21(15)27-3)20-13-19(9-10-26)24-25(30-14-29-24)23(20)18-6-8-22(28-4)16(2)12-18/h5-8,11-13,26H,9-10,14H2,1-4H3.
What are the key properties of 2-[6,7-bis(4-methoxy-3-methylphenyl)-1,3-benzodioxol-4-yl]ethanol?
2-[6,7-bis(4-methoxy-3-methylphenyl)-1,3-benzodioxol-4-yl]ethanol has a molecular weight of 406.48 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6,7-bis(4-methoxy-3-methylphenyl)-1,3-benzodioxol-4-yl]ethanol is sourced from PubChem (CID 57197865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).