6-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-1,3-benzodioxol-4-ol

C16H16O5 — CID 172870557

IUPAC6-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-1,3-benzodioxol-4-ol
SMILESCOc1ccc(CCc2cc(O)c3c(c2)OCO3)cc1O
InChIInChI=1S/C16H16O5/c1-19-14-5-4-10(6-12(14)17)2-3-11-7-13(18)16-15(8-11)20-9-21-16/h4-8,17-18H,2-3,9H2,1H3
InChIKeyLNDKPHCCLGQSNY-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.62
Rot. Bonds4

About 6-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-1,3-benzodioxol-4-ol

6-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-1,3-benzodioxol-4-ol (PubChem CID 172870557) has the molecular formula C16H16O5 and a molecular weight of 288.30 g/mol. Its IUPAC name is 6-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-1,3-benzodioxol-4-ol.

Molecular Properties

Compound Name6-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-1,3-benzodioxol-4-ol
PubChem CID172870557
Molecular FormulaC16H16O5
Molecular Weight288.30 g/mol
Exact Mass288.10
IUPAC Name6-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-1,3-benzodioxol-4-ol
SMILESCOc1ccc(CCc2cc(O)c3c(c2)OCO3)cc1O
InChIInChI=1S/C16H16O5/c1-19-14-5-4-10(6-12(14)17)2-3-11-7-13(18)16-15(8-11)20-9-21-16/h4-8,17-18H,2-3,9H2,1H3
InChIKeyLNDKPHCCLGQSNY-UHFFFAOYSA-N
XLogP2.62
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2R,3S)-4-(1,3-benzodioxol-5-yl)-2,3-dimethylbutyl]-2-methoxyphenol
CID 102322865
6-[2-(3-aminophenyl)ethyl]-1,3-benzodioxol-4-ol
CID 16719412
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-[7-(2-hydroxyethoxy)-1,3-benzodioxol-5-yl]ethyl]-1,3-benzodioxol-4-ol
CID 175639724
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
5-[4-(3-hydroxy-4-methoxyphenyl)butyl]-2-methoxyphenol
CID 57066187
2-methoxy-5-[2-(7-methoxy-1,3-benzodioxol-5-yl)ethyl]-3-[3-[2-(3-methoxyphenyl)ethyl]phenoxy]phenol
CID 172871025
4-methoxy-6-[2-[3-[2-methoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]-1,3-benzodioxole
CID 172870901
5-(6,7-dihydrofuro[3,2-g][1,3]benzodioxol-7-ylmethyl)-2-methoxyphenol
CID 71505337
7-[(3-hydroxy-4-methoxyphenyl)methyl]furo[3,2-g][1,3]benzodioxol-6-one
CID 71504780
6-[(3,4-dimethoxyphenyl)methyl]-1,3-benzodioxol-5-ol
CID 71517955
(5S)-5-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-4-ol
CID 15690614

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-1,3-benzodioxol-4-ol?
The IUPAC name of 6-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-1,3-benzodioxol-4-ol (CID 172870557) is 6-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-1,3-benzodioxol-4-ol.
What is the SMILES notation for 6-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-1,3-benzodioxol-4-ol?
The canonical SMILES for 6-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-1,3-benzodioxol-4-ol is COc1ccc(CCc2cc(O)c3c(c2)OCO3)cc1O.
What is the InChIKey of 6-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-1,3-benzodioxol-4-ol?
The InChIKey is LNDKPHCCLGQSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O5/c1-19-14-5-4-10(6-12(14)17)2-3-11-7-13(18)16-15(8-11)20-9-21-16/h4-8,17-18H,2-3,9H2,1H3.
What are the key properties of 6-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-1,3-benzodioxol-4-ol?
6-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-1,3-benzodioxol-4-ol has a molecular weight of 288.30 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-1,3-benzodioxol-4-ol is sourced from PubChem (CID 172870557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).