6-[2-[7-(2-hydroxyethoxy)-1,3-benzodioxol-5-yl]ethyl]-1,3-benzodioxol-4-ol

C18H18O7 — CID 175639724

IUPAC6-[2-[7-(2-hydroxyethoxy)-1,3-benzodioxol-5-yl]ethyl]-1,3-benzodioxol-4-ol
SMILESOCCOc1cc(CCc2cc(O)c3c(c2)OCO3)cc2c1OCO2
InChIInChI=1S/C18H18O7/c19-3-4-21-15-7-12(8-16-18(15)25-10-23-16)2-1-11-5-13(20)17-14(6-11)22-9-24-17/h5-8,19-20H,1-4,9-10H2
InChIKeyIKWYKSAVXAVXIO-UHFFFAOYSA-N
MW346.34 g/mol
LogP2.01
Rot. Bonds6

About 6-[2-[7-(2-hydroxyethoxy)-1,3-benzodioxol-5-yl]ethyl]-1,3-benzodioxol-4-ol

6-[2-[7-(2-hydroxyethoxy)-1,3-benzodioxol-5-yl]ethyl]-1,3-benzodioxol-4-ol (PubChem CID 175639724) has the molecular formula C18H18O7 and a molecular weight of 346.34 g/mol. Its IUPAC name is 6-[2-[7-(2-hydroxyethoxy)-1,3-benzodioxol-5-yl]ethyl]-1,3-benzodioxol-4-ol.

Molecular Properties

Compound Name6-[2-[7-(2-hydroxyethoxy)-1,3-benzodioxol-5-yl]ethyl]-1,3-benzodioxol-4-ol
PubChem CID175639724
Molecular FormulaC18H18O7
Molecular Weight346.34 g/mol
Exact Mass346.11
IUPAC Name6-[2-[7-(2-hydroxyethoxy)-1,3-benzodioxol-5-yl]ethyl]-1,3-benzodioxol-4-ol
SMILESOCCOc1cc(CCc2cc(O)c3c(c2)OCO3)cc2c1OCO2
InChIInChI=1S/C18H18O7/c19-3-4-21-15-7-12(8-16-18(15)25-10-23-16)2-1-11-5-13(20)17-14(6-11)22-9-24-17/h5-8,19-20H,1-4,9-10H2
InChIKeyIKWYKSAVXAVXIO-UHFFFAOYSA-N
XLogP2.01
TPSA86.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-[[6-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,3-benzodioxol-4-yl]oxy]ethoxy]ethanol
CID 175639731
4-[4,5-dihydroxy-2-[2-(7-hydroxy-1,3-benzodioxol-5-yl)ethyl]phenyl]-5-[2-(7-hydroxy-1,3-benzodioxol-5-yl)ethyl]benzene-1,2-diol
CID 172870634
6-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-1,3-benzodioxol-4-ol
CID 172870557
6-[2-(3-aminophenyl)ethyl]-1,3-benzodioxol-4-ol
CID 16719412
(7-phenylmethoxy-1,3-benzodioxol-5-yl)methanol
CID 91828142
4-[4-hydroxy-2-[2-(7-methoxy-1,3-benzodioxol-5-yl)ethyl]phenyl]-3-[2-(7-methoxy-1,3-benzodioxol-5-yl)ethyl]phenol
CID 172870628
2-methoxy-5-[2-(7-methoxy-1,3-benzodioxol-5-yl)ethyl]-3-[3-[2-(3-methoxyphenyl)ethyl]phenoxy]phenol
CID 172871025
2-[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]ethanol
CID 115572492
2-[(6-propan-2-yl-1,3-benzodioxol-5-yl)oxy]ethanol
CID 170242933
(2S,3R,4S,5S,6R)-2-[2,3-dimethoxy-5-[2-(7-methoxy-1,3-benzodioxol-5-yl)ethyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 172871480
2,6-dimethoxy-4-[(2R,3R)-4-methoxy-3-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-2-(methoxymethyl)butyl]phenol
CID 5491556
6-(piperidin-2-ylmethyl)-1,3-benzodioxol-4-ol
CID 117342511

Frequently Asked Questions

What is the IUPAC name of 6-[2-[7-(2-hydroxyethoxy)-1,3-benzodioxol-5-yl]ethyl]-1,3-benzodioxol-4-ol?
The IUPAC name of 6-[2-[7-(2-hydroxyethoxy)-1,3-benzodioxol-5-yl]ethyl]-1,3-benzodioxol-4-ol (CID 175639724) is 6-[2-[7-(2-hydroxyethoxy)-1,3-benzodioxol-5-yl]ethyl]-1,3-benzodioxol-4-ol.
What is the SMILES notation for 6-[2-[7-(2-hydroxyethoxy)-1,3-benzodioxol-5-yl]ethyl]-1,3-benzodioxol-4-ol?
The canonical SMILES for 6-[2-[7-(2-hydroxyethoxy)-1,3-benzodioxol-5-yl]ethyl]-1,3-benzodioxol-4-ol is OCCOc1cc(CCc2cc(O)c3c(c2)OCO3)cc2c1OCO2.
What is the InChIKey of 6-[2-[7-(2-hydroxyethoxy)-1,3-benzodioxol-5-yl]ethyl]-1,3-benzodioxol-4-ol?
The InChIKey is IKWYKSAVXAVXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O7/c19-3-4-21-15-7-12(8-16-18(15)25-10-23-16)2-1-11-5-13(20)17-14(6-11)22-9-24-17/h5-8,19-20H,1-4,9-10H2.
What are the key properties of 6-[2-[7-(2-hydroxyethoxy)-1,3-benzodioxol-5-yl]ethyl]-1,3-benzodioxol-4-ol?
6-[2-[7-(2-hydroxyethoxy)-1,3-benzodioxol-5-yl]ethyl]-1,3-benzodioxol-4-ol has a molecular weight of 346.34 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[7-(2-hydroxyethoxy)-1,3-benzodioxol-5-yl]ethyl]-1,3-benzodioxol-4-ol is sourced from PubChem (CID 175639724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).