1-(3,4,5-trimethoxyphenyl)-1H-furo[3,4-c]pyridin-3-one

C16H15NO5 — CID 139864325

IUPAC1-(3,4,5-trimethoxyphenyl)-1H-furo[3,4-c]pyridin-3-one
SMILESCOc1cc(C2OC(=O)c3cnccc32)cc(OC)c1OC
InChIInChI=1S/C16H15NO5/c1-19-12-6-9(7-13(20-2)15(12)21-3)14-10-4-5-17-8-11(10)16(18)22-14/h4-8,14H,1-3H3
InChIKeyPVRODBILQVQZJE-UHFFFAOYSA-N
MW301.30 g/mol
LogP2.37
Rot. Bonds4

About 1-(3,4,5-trimethoxyphenyl)-1H-furo[3,4-c]pyridin-3-one

1-(3,4,5-trimethoxyphenyl)-1H-furo[3,4-c]pyridin-3-one (PubChem CID 139864325) has the molecular formula C16H15NO5 and a molecular weight of 301.30 g/mol. Its IUPAC name is 1-(3,4,5-trimethoxyphenyl)-1H-furo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name1-(3,4,5-trimethoxyphenyl)-1H-furo[3,4-c]pyridin-3-one
PubChem CID139864325
Molecular FormulaC16H15NO5
Molecular Weight301.30 g/mol
Exact Mass301.10
IUPAC Name1-(3,4,5-trimethoxyphenyl)-1H-furo[3,4-c]pyridin-3-one
SMILESCOc1cc(C2OC(=O)c3cnccc32)cc(OC)c1OC
InChIInChI=1S/C16H15NO5/c1-19-12-6-9(7-13(20-2)15(12)21-3)14-10-4-5-17-8-11(10)16(18)22-14/h4-8,14H,1-3H3
InChIKeyPVRODBILQVQZJE-UHFFFAOYSA-N
XLogP2.37
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3,4,5-trimethoxyphenyl)-3H-2-benzofuran-1-one
CID 59921138
3-(2,5-dimethoxyphenyl)-4,5,6-trimethoxy-3H-2-benzofuran-1-one
CID 13448509
4-phenyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydroisochromen-1-one
CID 10318227
2-(3,4,5-trimethoxyphenyl)-4H-1,4-benzoxazin-3-one
CID 10686792
1-pyridin-4-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine chloride
CID 53351776
5,6,8-trimethoxyisoquinoline
CID 15715766
3-(3-bromo-2,5-dimethoxyphenyl)-4-methoxy-3H-2-benzofuran-1-one
CID 134937764
3-(3,4,5-trimethoxyphenyl)pyridine
CID 141070241
3-(4-methoxyphenyl)-3H-2-benzofuran-1-one
CID 10955671
3-(2,5-dimethoxy-3-methylphenyl)-4-methoxy-3H-2-benzofuran-1-one
CID 134937765
(2S,3R)-5-oxo-2-(3,4,5-trimethoxyphenyl)oxolane-3-carboxylic acid
CID 97034964
(2R,3S)-5-oxo-2-(3,4,5-trimethoxyphenyl)oxolane-3-carboxylic acid
CID 97034967

Frequently Asked Questions

What is the IUPAC name of 1-(3,4,5-trimethoxyphenyl)-1H-furo[3,4-c]pyridin-3-one?
The IUPAC name of 1-(3,4,5-trimethoxyphenyl)-1H-furo[3,4-c]pyridin-3-one (CID 139864325) is 1-(3,4,5-trimethoxyphenyl)-1H-furo[3,4-c]pyridin-3-one.
What is the SMILES notation for 1-(3,4,5-trimethoxyphenyl)-1H-furo[3,4-c]pyridin-3-one?
The canonical SMILES for 1-(3,4,5-trimethoxyphenyl)-1H-furo[3,4-c]pyridin-3-one is COc1cc(C2OC(=O)c3cnccc32)cc(OC)c1OC.
What is the InChIKey of 1-(3,4,5-trimethoxyphenyl)-1H-furo[3,4-c]pyridin-3-one?
The InChIKey is PVRODBILQVQZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO5/c1-19-12-6-9(7-13(20-2)15(12)21-3)14-10-4-5-17-8-11(10)16(18)22-14/h4-8,14H,1-3H3.
What are the key properties of 1-(3,4,5-trimethoxyphenyl)-1H-furo[3,4-c]pyridin-3-one?
1-(3,4,5-trimethoxyphenyl)-1H-furo[3,4-c]pyridin-3-one has a molecular weight of 301.30 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4,5-trimethoxyphenyl)-1H-furo[3,4-c]pyridin-3-one is sourced from PubChem (CID 139864325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).