8-methoxy-2-methyl-3,4,5,6-tetrahydro-[1]benzofuro[2,3-c]azocin-1-one

C15H17NO3 — CID 67965470

IUPAC8-methoxy-2-methyl-3,4,5,6-tetrahydro-[1]benzofuro[2,3-c]azocin-1-one
SMILESCOc1ccc2oc3c(c2c1)CCCCN(C)C3=O
InChIInChI=1S/C15H17NO3/c1-16-8-4-3-5-11-12-9-10(18-2)6-7-13(12)19-14(11)15(16)17/h6-7,9H,3-5,8H2,1-2H3
InChIKeyHALZVBGZZJZQSH-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.85
Rot. Bonds1

About 8-methoxy-2-methyl-3,4,5,6-tetrahydro-[1]benzofuro[2,3-c]azocin-1-one

8-methoxy-2-methyl-3,4,5,6-tetrahydro-[1]benzofuro[2,3-c]azocin-1-one (PubChem CID 67965470) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 8-methoxy-2-methyl-3,4,5,6-tetrahydro-[1]benzofuro[2,3-c]azocin-1-one.

Molecular Properties

Compound Name8-methoxy-2-methyl-3,4,5,6-tetrahydro-[1]benzofuro[2,3-c]azocin-1-one
PubChem CID67965470
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name8-methoxy-2-methyl-3,4,5,6-tetrahydro-[1]benzofuro[2,3-c]azocin-1-one
SMILESCOc1ccc2oc3c(c2c1)CCCCN(C)C3=O
InChIInChI=1S/C15H17NO3/c1-16-8-4-3-5-11-12-9-10(18-2)6-7-13(12)19-14(11)15(16)17/h6-7,9H,3-5,8H2,1-2H3
InChIKeyHALZVBGZZJZQSH-UHFFFAOYSA-N
XLogP2.85
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-methoxy-2-methyl-1,3,4,5-tetrahydro-[1]benzofuro[2,3-c]azepine
CID 164872530
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CID 164872528
9-methoxy-3,4-dihydro-1H-[1]benzofuro[3,2-b]azepine-2,5-dione
CID 5298868
3,6-dimethoxy-2-(4-methoxyphenyl)chromen-4-one
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7-methoxy-3-methyl-[1]benzofuro[2,3-b]pyrrole-2-carbaldehyde
CID 115007766
3-bromo-5-methoxy-2-(4-methoxyphenyl)-1-benzofuran
CID 89479970
3-(2-hydroxyethyl)-6-methoxy-1,3-benzoxazine-2,4-dione
CID 10082863
N-(4-methoxyphenyl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 3772122
1-[4-(2-methoxyethyl)piperazin-1-yl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)ethanone
CID 86913342
7-methoxy-2-piperidin-1-ylchromeno[2,3-d][1,3]thiazol-9-one
CID 175584361
16-methoxy-6,6-dimethyl-12-oxatetracyclo[9.7.0.02,7.013,18]octadeca-1(11),2(7),13(18),14,16-pentaen-10-one
CID 143270641
6-methoxy-4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]chromen-2-one
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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-methyl-3,4,5,6-tetrahydro-[1]benzofuro[2,3-c]azocin-1-one?
The IUPAC name of 8-methoxy-2-methyl-3,4,5,6-tetrahydro-[1]benzofuro[2,3-c]azocin-1-one (CID 67965470) is 8-methoxy-2-methyl-3,4,5,6-tetrahydro-[1]benzofuro[2,3-c]azocin-1-one.
What is the SMILES notation for 8-methoxy-2-methyl-3,4,5,6-tetrahydro-[1]benzofuro[2,3-c]azocin-1-one?
The canonical SMILES for 8-methoxy-2-methyl-3,4,5,6-tetrahydro-[1]benzofuro[2,3-c]azocin-1-one is COc1ccc2oc3c(c2c1)CCCCN(C)C3=O.
What is the InChIKey of 8-methoxy-2-methyl-3,4,5,6-tetrahydro-[1]benzofuro[2,3-c]azocin-1-one?
The InChIKey is HALZVBGZZJZQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-16-8-4-3-5-11-12-9-10(18-2)6-7-13(12)19-14(11)15(16)17/h6-7,9H,3-5,8H2,1-2H3.
What are the key properties of 8-methoxy-2-methyl-3,4,5,6-tetrahydro-[1]benzofuro[2,3-c]azocin-1-one?
8-methoxy-2-methyl-3,4,5,6-tetrahydro-[1]benzofuro[2,3-c]azocin-1-one has a molecular weight of 259.31 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-methyl-3,4,5,6-tetrahydro-[1]benzofuro[2,3-c]azocin-1-one is sourced from PubChem (CID 67965470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).