1-hydroxy-3-methoxy-9a-methyl-9-oxodibenzofuran-4-carboxamide

C15H13NO5 — CID 141170758

IUPAC1-hydroxy-3-methoxy-9a-methyl-9-oxodibenzofuran-4-carboxamide
SMILESCOc1cc(O)c2c(c1C(N)=O)OC1=CC=CC(=O)C12C
InChIInChI=1S/C15H13NO5/c1-15-9(18)4-3-5-10(15)21-13-11(14(16)19)8(20-2)6-7(17)12(13)15/h3-6,17H,1-2H3,(H2,16,19)
InChIKeyPEGBIXZQNVPPLC-UHFFFAOYSA-N
MW287.27 g/mol
LogP1.17
Rot. Bonds2

About 1-hydroxy-3-methoxy-9a-methyl-9-oxodibenzofuran-4-carboxamide

1-hydroxy-3-methoxy-9a-methyl-9-oxodibenzofuran-4-carboxamide (PubChem CID 141170758) has the molecular formula C15H13NO5 and a molecular weight of 287.27 g/mol. Its IUPAC name is 1-hydroxy-3-methoxy-9a-methyl-9-oxodibenzofuran-4-carboxamide.

Molecular Properties

Compound Name1-hydroxy-3-methoxy-9a-methyl-9-oxodibenzofuran-4-carboxamide
PubChem CID141170758
Molecular FormulaC15H13NO5
Molecular Weight287.27 g/mol
Exact Mass287.08
IUPAC Name1-hydroxy-3-methoxy-9a-methyl-9-oxodibenzofuran-4-carboxamide
SMILESCOc1cc(O)c2c(c1C(N)=O)OC1=CC=CC(=O)C12C
InChIInChI=1S/C15H13NO5/c1-15-9(18)4-3-5-10(15)21-13-11(14(16)19)8(20-2)6-7(17)12(13)15/h3-6,17H,1-2H3,(H2,16,19)
InChIKeyPEGBIXZQNVPPLC-UHFFFAOYSA-N
XLogP1.17
TPSA98.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(9aS)-8-acetyl-3-methoxy-9a-methyl-7,9-dioxo-1-propoxydibenzofuran-4-carboxamide
CID 90715860
(9aS)-8-acetyl-1-hydroxy-3-methoxy-9a-methyl-7,9-dioxo-N-[(2,3,4,5,6-pentamethylphenyl)methyl]dibenzofuran-4-carboxamide
CID 90984483
(9aS)-8-acetyl-1-hydroxy-N-[(4-hydroxy-2,3,6-trimethylphenyl)methyl]-3-methoxy-9a-methyl-7,9-dioxodibenzofuran-4-carboxamide
CID 91375577
(9aS)-8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-N-[(2,3,4,5,6-pentafluorophenyl)methyl]dibenzofuran-4-carboxamide
CID 87502533
(9aS)-8-acetyl-N-(furan-3-ylmethyl)-1-hydroxy-3-methoxy-9a-methyl-7,9-dioxodibenzofuran-4-carboxamide
CID 91937093
(9aS)-8-acetyl-1,7-dihydroxy-3-methoxy-N-[(2-methoxyphenyl)methyl]-9a-methyl-9-oxodibenzofuran-4-carboxamide
CID 86627085
(9aS)-8-acetyl-N-[(2,6-dichlorophenyl)methyl]-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxodibenzofuran-4-carboxamide
CID 87503163
(9aS)-8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-N-[(2,4,6-trifluorophenyl)methyl]dibenzofuran-4-carboxamide
CID 86627117
(9aS)-8-acetyl-1-hydroxy-N-[(2-hydroxynaphthalen-1-yl)methyl]-3-methoxy-9a-methyl-7,9-dioxodibenzofuran-4-carboxamide
CID 91272974
(9aS)-8-acetyl-N-[(4-bromonaphthalen-1-yl)methyl]-1-hydroxy-3-methoxy-9a-methyl-7,9-dioxodibenzofuran-4-carboxamide
CID 91051266
(8E,9aS)-8-[1-(cyclopropylmethoxyamino)ethylidene]-1-hydroxy-3-methoxy-9a-methyl-N-[(2-methylnaphthalen-1-yl)methyl]-7,9-dioxodibenzofuran-4-carboxamide
CID 87502299
(9aS)-8-acetyl-N-[[2-(difluoromethyl)naphthalen-1-yl]methyl]-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxodibenzofuran-4-carboxamide
CID 86627136

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-methoxy-9a-methyl-9-oxodibenzofuran-4-carboxamide?
The IUPAC name of 1-hydroxy-3-methoxy-9a-methyl-9-oxodibenzofuran-4-carboxamide (CID 141170758) is 1-hydroxy-3-methoxy-9a-methyl-9-oxodibenzofuran-4-carboxamide.
What is the SMILES notation for 1-hydroxy-3-methoxy-9a-methyl-9-oxodibenzofuran-4-carboxamide?
The canonical SMILES for 1-hydroxy-3-methoxy-9a-methyl-9-oxodibenzofuran-4-carboxamide is COc1cc(O)c2c(c1C(N)=O)OC1=CC=CC(=O)C12C.
What is the InChIKey of 1-hydroxy-3-methoxy-9a-methyl-9-oxodibenzofuran-4-carboxamide?
The InChIKey is PEGBIXZQNVPPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO5/c1-15-9(18)4-3-5-10(15)21-13-11(14(16)19)8(20-2)6-7(17)12(13)15/h3-6,17H,1-2H3,(H2,16,19).
What are the key properties of 1-hydroxy-3-methoxy-9a-methyl-9-oxodibenzofuran-4-carboxamide?
1-hydroxy-3-methoxy-9a-methyl-9-oxodibenzofuran-4-carboxamide has a molecular weight of 287.27 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-methoxy-9a-methyl-9-oxodibenzofuran-4-carboxamide is sourced from PubChem (CID 141170758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).