1-(furan-3-yl)-3-(6-methoxy-3-pyridinyl)propan-2-one

C13H13NO3 — CID 83171563

IUPAC1-(furan-3-yl)-3-(6-methoxy-3-pyridinyl)propan-2-one
SMILESCOc1ccc(CC(=O)Cc2ccoc2)cn1
InChIInChI=1S/C13H13NO3/c1-16-13-3-2-10(8-14-13)6-12(15)7-11-4-5-17-9-11/h2-5,8-9H,6-7H2,1H3
InChIKeyQWAKTYCNUHTAMZ-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.04
Rot. Bonds5

About 1-(furan-3-yl)-3-(6-methoxy-3-pyridinyl)propan-2-one

1-(furan-3-yl)-3-(6-methoxy-3-pyridinyl)propan-2-one (PubChem CID 83171563) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 1-(furan-3-yl)-3-(6-methoxy-3-pyridinyl)propan-2-one.

Molecular Properties

Compound Name1-(furan-3-yl)-3-(6-methoxy-3-pyridinyl)propan-2-one
PubChem CID83171563
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name1-(furan-3-yl)-3-(6-methoxy-3-pyridinyl)propan-2-one
SMILESCOc1ccc(CC(=O)Cc2ccoc2)cn1
InChIInChI=1S/C13H13NO3/c1-16-13-3-2-10(8-14-13)6-12(15)7-11-4-5-17-9-11/h2-5,8-9H,6-7H2,1H3
InChIKeyQWAKTYCNUHTAMZ-UHFFFAOYSA-N
XLogP2.04
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(furan-2-yl)-3-(6-methoxy-3-pyridinyl)propan-2-one
CID 83171564
4-ethyl-1-(6-methoxy-3-pyridinyl)hexan-2-one
CID 82920700
1-(6-methoxy-3-pyridinyl)propan-2-one
CID 19760371
1-(4-fluoro-2-methylphenyl)-3-(6-methoxy-3-pyridinyl)propan-2-one
CID 114347314
ethyl 2-(6-methoxy-3-pyridinyl)acetate
CID 131699443
2-(6-methoxy-3-pyridinyl)-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 176781033
methyl 2-[(6-methoxy-3-pyridinyl)methylsulfanyl]acetate
CID 123951100
1-(6-methoxy-3-pyridinyl)-3-methylhexan-2-one
CID 107896356
1-(1-benzofuran-2-yl)-2-(6-methoxy-3-pyridinyl)ethanone
CID 114725771
(6-methoxy-3-pyridinyl)methyl 1,2-oxazole-3-carboxylate
CID 71869279
1-[(6-methoxy-3-pyridinyl)methoxy]propan-2-one
CID 129259580
2-chloro-5-[(6-methoxy-3-pyridinyl)methyl]pyridine
CID 139512366

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)-3-(6-methoxy-3-pyridinyl)propan-2-one?
The IUPAC name of 1-(furan-3-yl)-3-(6-methoxy-3-pyridinyl)propan-2-one (CID 83171563) is 1-(furan-3-yl)-3-(6-methoxy-3-pyridinyl)propan-2-one.
What is the SMILES notation for 1-(furan-3-yl)-3-(6-methoxy-3-pyridinyl)propan-2-one?
The canonical SMILES for 1-(furan-3-yl)-3-(6-methoxy-3-pyridinyl)propan-2-one is COc1ccc(CC(=O)Cc2ccoc2)cn1.
What is the InChIKey of 1-(furan-3-yl)-3-(6-methoxy-3-pyridinyl)propan-2-one?
The InChIKey is QWAKTYCNUHTAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-16-13-3-2-10(8-14-13)6-12(15)7-11-4-5-17-9-11/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 1-(furan-3-yl)-3-(6-methoxy-3-pyridinyl)propan-2-one?
1-(furan-3-yl)-3-(6-methoxy-3-pyridinyl)propan-2-one has a molecular weight of 231.25 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)-3-(6-methoxy-3-pyridinyl)propan-2-one is sourced from PubChem (CID 83171563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).