5-(6,7-dihydrofuro[3,2-g][1,3]benzodioxol-7-ylmethyl)-2-methoxyphenol

C17H16O5 — CID 71505337

IUPAC5-(6,7-dihydrofuro[3,2-g][1,3]benzodioxol-7-ylmethyl)-2-methoxyphenol
SMILESCOc1ccc(CC2Cc3ccc4c(c3O2)OCO4)cc1O
InChIInChI=1S/C17H16O5/c1-19-14-4-2-10(7-13(14)18)6-12-8-11-3-5-15-17(16(11)22-12)21-9-20-15/h2-5,7,12,18H,6,8-9H2,1H3
InChIKeySMHQFPZKTXGVAC-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.68
Rot. Bonds3

About 5-(6,7-dihydrofuro[3,2-g][1,3]benzodioxol-7-ylmethyl)-2-methoxyphenol

5-(6,7-dihydrofuro[3,2-g][1,3]benzodioxol-7-ylmethyl)-2-methoxyphenol (PubChem CID 71505337) has the molecular formula C17H16O5 and a molecular weight of 300.31 g/mol. Its IUPAC name is 5-(6,7-dihydrofuro[3,2-g][1,3]benzodioxol-7-ylmethyl)-2-methoxyphenol.

Molecular Properties

Compound Name5-(6,7-dihydrofuro[3,2-g][1,3]benzodioxol-7-ylmethyl)-2-methoxyphenol
PubChem CID71505337
Molecular FormulaC17H16O5
Molecular Weight300.31 g/mol
Exact Mass300.10
IUPAC Name5-(6,7-dihydrofuro[3,2-g][1,3]benzodioxol-7-ylmethyl)-2-methoxyphenol
SMILESCOc1ccc(CC2Cc3ccc4c(c3O2)OCO4)cc1O
InChIInChI=1S/C17H16O5/c1-19-14-4-2-10(7-13(14)18)6-12-8-11-3-5-15-17(16(11)22-12)21-9-20-15/h2-5,7,12,18H,6,8-9H2,1H3
InChIKeySMHQFPZKTXGVAC-UHFFFAOYSA-N
XLogP2.68
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-[(3-hydroxy-4-methoxyphenyl)methyl]furo[3,2-g][1,3]benzodioxol-6-one
CID 71504780
6-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-1,3-benzodioxol-4-ol
CID 172870557
(5S)-5-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-4-ol
CID 15690614
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
5-[(2R,3S)-4-(1,3-benzodioxol-5-yl)-2,3-dimethylbutyl]-2-methoxyphenol
CID 102322865
5-(cyclopropylmethyl)-2-methoxyphenol
CID 115015182
7-[(4-hydroxy-3-methoxyphenyl)methyl]-7,8-dihydro-[1,3]dioxolo[4,5-h]chromen-6-one
CID 44814526
7-methyl-6,7-dihydrofuro[3,2-g][1,3]benzodioxole
CID 86150963
2-methoxy-5-[[(3R)-5,6,7-trimethoxy-3,4-dihydro-2H-chromen-3-yl]methyl]phenol
CID 155755652
5-[(5,7-dimethoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2-methoxyphenol
CID 155755624
(1S)-6-hydroxy-7-methoxy-2-methylspiro[3,4-dihydroisoquinoline-1,7'-6H-cyclopenta[g][1,3]benzodioxole]-8'-one
CID 23257568
6-chloro-3-[(3-hydroxy-4-methoxyphenyl)methyl]-2,3-dihydrochromen-4-one
CID 69167667

Frequently Asked Questions

What is the IUPAC name of 5-(6,7-dihydrofuro[3,2-g][1,3]benzodioxol-7-ylmethyl)-2-methoxyphenol?
The IUPAC name of 5-(6,7-dihydrofuro[3,2-g][1,3]benzodioxol-7-ylmethyl)-2-methoxyphenol (CID 71505337) is 5-(6,7-dihydrofuro[3,2-g][1,3]benzodioxol-7-ylmethyl)-2-methoxyphenol.
What is the SMILES notation for 5-(6,7-dihydrofuro[3,2-g][1,3]benzodioxol-7-ylmethyl)-2-methoxyphenol?
The canonical SMILES for 5-(6,7-dihydrofuro[3,2-g][1,3]benzodioxol-7-ylmethyl)-2-methoxyphenol is COc1ccc(CC2Cc3ccc4c(c3O2)OCO4)cc1O.
What is the InChIKey of 5-(6,7-dihydrofuro[3,2-g][1,3]benzodioxol-7-ylmethyl)-2-methoxyphenol?
The InChIKey is SMHQFPZKTXGVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O5/c1-19-14-4-2-10(7-13(14)18)6-12-8-11-3-5-15-17(16(11)22-12)21-9-20-15/h2-5,7,12,18H,6,8-9H2,1H3.
What are the key properties of 5-(6,7-dihydrofuro[3,2-g][1,3]benzodioxol-7-ylmethyl)-2-methoxyphenol?
5-(6,7-dihydrofuro[3,2-g][1,3]benzodioxol-7-ylmethyl)-2-methoxyphenol has a molecular weight of 300.31 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6,7-dihydrofuro[3,2-g][1,3]benzodioxol-7-ylmethyl)-2-methoxyphenol is sourced from PubChem (CID 71505337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).