7-[(3-hydroxy-4-methoxyphenyl)methyl]furo[3,2-g][1,3]benzodioxol-6-one

C17H14O6 — CID 71504780

IUPAC7-[(3-hydroxy-4-methoxyphenyl)methyl]furo[3,2-g][1,3]benzodioxol-6-one
SMILESCOc1ccc(CC2Oc3c(ccc4c3OCO4)C2=O)cc1O
InChIInChI=1S/C17H14O6/c1-20-12-4-2-9(6-11(12)18)7-14-15(19)10-3-5-13-17(16(10)23-14)22-8-21-13/h2-6,14,18H,7-8H2,1H3
InChIKeyQSVQRQHUVJRZJS-UHFFFAOYSA-N
MW314.29 g/mol
LogP2.32
Rot. Bonds3

About 7-[(3-hydroxy-4-methoxyphenyl)methyl]furo[3,2-g][1,3]benzodioxol-6-one

7-[(3-hydroxy-4-methoxyphenyl)methyl]furo[3,2-g][1,3]benzodioxol-6-one (PubChem CID 71504780) has the molecular formula C17H14O6 and a molecular weight of 314.29 g/mol. Its IUPAC name is 7-[(3-hydroxy-4-methoxyphenyl)methyl]furo[3,2-g][1,3]benzodioxol-6-one.

Molecular Properties

Compound Name7-[(3-hydroxy-4-methoxyphenyl)methyl]furo[3,2-g][1,3]benzodioxol-6-one
PubChem CID71504780
Molecular FormulaC17H14O6
Molecular Weight314.29 g/mol
Exact Mass314.08
IUPAC Name7-[(3-hydroxy-4-methoxyphenyl)methyl]furo[3,2-g][1,3]benzodioxol-6-one
SMILESCOc1ccc(CC2Oc3c(ccc4c3OCO4)C2=O)cc1O
InChIInChI=1S/C17H14O6/c1-20-12-4-2-9(6-11(12)18)7-14-15(19)10-3-5-13-17(16(10)23-14)22-8-21-13/h2-6,14,18H,7-8H2,1H3
InChIKeyQSVQRQHUVJRZJS-UHFFFAOYSA-N
XLogP2.32
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.29
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(6,7-dihydrofuro[3,2-g][1,3]benzodioxol-7-ylmethyl)-2-methoxyphenol
CID 71505337
7-[(4-hydroxy-3-methoxyphenyl)methyl]-7,8-dihydro-[1,3]dioxolo[4,5-h]chromen-6-one
CID 44814526
6-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-1,3-benzodioxol-4-ol
CID 172870557
2-[(3-amino-4-methoxyphenyl)methyl]-6,7-dimethoxy-1-benzofuran-3-one
CID 71504778
6-chloro-3-[(3-hydroxy-4-methoxyphenyl)methyl]-2,3-dihydrochromen-4-one
CID 69167667
7-[(2-fluorophenyl)methyl]furo[3,2-g][1,3]benzodioxol-6-one
CID 71504953
5-(cyclopropylmethyl)-2-methoxyphenol
CID 115015182
5-[(2R,3S)-4-(1,3-benzodioxol-5-yl)-2,3-dimethylbutyl]-2-methoxyphenol
CID 102322865
(5S)-5-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-4-ol
CID 15690614
(3-hydroxy-4-methoxyphenyl)methyl-methylazanide
CID 59297645
(3R)-5,7-dihydroxy-3-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2,3-dihydrochromen-4-one
CID 162921322
5-[[(5R)-6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]methyl]-2-methoxyphenol
CID 163008475

Frequently Asked Questions

What is the IUPAC name of 7-[(3-hydroxy-4-methoxyphenyl)methyl]furo[3,2-g][1,3]benzodioxol-6-one?
The IUPAC name of 7-[(3-hydroxy-4-methoxyphenyl)methyl]furo[3,2-g][1,3]benzodioxol-6-one (CID 71504780) is 7-[(3-hydroxy-4-methoxyphenyl)methyl]furo[3,2-g][1,3]benzodioxol-6-one.
What is the SMILES notation for 7-[(3-hydroxy-4-methoxyphenyl)methyl]furo[3,2-g][1,3]benzodioxol-6-one?
The canonical SMILES for 7-[(3-hydroxy-4-methoxyphenyl)methyl]furo[3,2-g][1,3]benzodioxol-6-one is COc1ccc(CC2Oc3c(ccc4c3OCO4)C2=O)cc1O.
What is the InChIKey of 7-[(3-hydroxy-4-methoxyphenyl)methyl]furo[3,2-g][1,3]benzodioxol-6-one?
The InChIKey is QSVQRQHUVJRZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O6/c1-20-12-4-2-9(6-11(12)18)7-14-15(19)10-3-5-13-17(16(10)23-14)22-8-21-13/h2-6,14,18H,7-8H2,1H3.
What are the key properties of 7-[(3-hydroxy-4-methoxyphenyl)methyl]furo[3,2-g][1,3]benzodioxol-6-one?
7-[(3-hydroxy-4-methoxyphenyl)methyl]furo[3,2-g][1,3]benzodioxol-6-one has a molecular weight of 314.29 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-hydroxy-4-methoxyphenyl)methyl]furo[3,2-g][1,3]benzodioxol-6-one is sourced from PubChem (CID 71504780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).