2-[(2-methoxyphenoxy)methyl]-8,9-dihydro-7H-[1,4]dioxepino[2,3-g][3,1]benzoxazin-4-one

C19H17NO6 — CID 51109322

IUPAC2-[(2-methoxyphenoxy)methyl]-8,9-dihydro-7H-[1,4]dioxepino[2,3-g][3,1]benzoxazin-4-one
SMILESCOc1ccccc1OCc1nc2cc3c(cc2c(=O)o1)OCCCO3
InChIInChI=1S/C19H17NO6/c1-22-14-5-2-3-6-15(14)25-11-18-20-13-10-17-16(23-7-4-8-24-17)9-12(13)19(21)26-18/h2-3,5-6,9-10H,4,7-8,11H2,1H3
InChIKeyFMSJFYGCFOBECK-UHFFFAOYSA-N
MW355.35 g/mol
LogP2.94
Rot. Bonds4

About 2-[(2-methoxyphenoxy)methyl]-8,9-dihydro-7H-[1,4]dioxepino[2,3-g][3,1]benzoxazin-4-one

2-[(2-methoxyphenoxy)methyl]-8,9-dihydro-7H-[1,4]dioxepino[2,3-g][3,1]benzoxazin-4-one (PubChem CID 51109322) has the molecular formula C19H17NO6 and a molecular weight of 355.35 g/mol. Its IUPAC name is 2-[(2-methoxyphenoxy)methyl]-8,9-dihydro-7H-[1,4]dioxepino[2,3-g][3,1]benzoxazin-4-one.

Molecular Properties

Compound Name2-[(2-methoxyphenoxy)methyl]-8,9-dihydro-7H-[1,4]dioxepino[2,3-g][3,1]benzoxazin-4-one
PubChem CID51109322
Molecular FormulaC19H17NO6
Molecular Weight355.35 g/mol
Exact Mass355.11
IUPAC Name2-[(2-methoxyphenoxy)methyl]-8,9-dihydro-7H-[1,4]dioxepino[2,3-g][3,1]benzoxazin-4-one
SMILESCOc1ccccc1OCc1nc2cc3c(cc2c(=O)o1)OCCCO3
InChIInChI=1S/C19H17NO6/c1-22-14-5-2-3-6-15(14)25-11-18-20-13-10-17-16(23-7-4-8-24-17)9-12(13)19(21)26-18/h2-3,5-6,9-10H,4,7-8,11H2,1H3
InChIKeyFMSJFYGCFOBECK-UHFFFAOYSA-N
XLogP2.94
TPSA80.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenoxy)methyl]-8,9-dihydro-7H-[1,4]dioxepino[2,3-g][3,1]benzoxazin-4-one?
The IUPAC name of 2-[(2-methoxyphenoxy)methyl]-8,9-dihydro-7H-[1,4]dioxepino[2,3-g][3,1]benzoxazin-4-one (CID 51109322) is 2-[(2-methoxyphenoxy)methyl]-8,9-dihydro-7H-[1,4]dioxepino[2,3-g][3,1]benzoxazin-4-one.
What is the SMILES notation for 2-[(2-methoxyphenoxy)methyl]-8,9-dihydro-7H-[1,4]dioxepino[2,3-g][3,1]benzoxazin-4-one?
The canonical SMILES for 2-[(2-methoxyphenoxy)methyl]-8,9-dihydro-7H-[1,4]dioxepino[2,3-g][3,1]benzoxazin-4-one is COc1ccccc1OCc1nc2cc3c(cc2c(=O)o1)OCCCO3.
What is the InChIKey of 2-[(2-methoxyphenoxy)methyl]-8,9-dihydro-7H-[1,4]dioxepino[2,3-g][3,1]benzoxazin-4-one?
The InChIKey is FMSJFYGCFOBECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO6/c1-22-14-5-2-3-6-15(14)25-11-18-20-13-10-17-16(23-7-4-8-24-17)9-12(13)19(21)26-18/h2-3,5-6,9-10H,4,7-8,11H2,1H3.
What are the key properties of 2-[(2-methoxyphenoxy)methyl]-8,9-dihydro-7H-[1,4]dioxepino[2,3-g][3,1]benzoxazin-4-one?
2-[(2-methoxyphenoxy)methyl]-8,9-dihydro-7H-[1,4]dioxepino[2,3-g][3,1]benzoxazin-4-one has a molecular weight of 355.35 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenoxy)methyl]-8,9-dihydro-7H-[1,4]dioxepino[2,3-g][3,1]benzoxazin-4-one is sourced from PubChem (CID 51109322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).