(3S)-7-methoxy-3-methyl-4-oxo-1,2-dihydrodibenzofuran-3-carbonitrile

C15H13NO3 — CID 86339794

IUPAC(3S)-7-methoxy-3-methyl-4-oxo-1,2-dihydrodibenzofuran-3-carbonitrile
SMILESCOc1ccc2c3c(oc2c1)C(=O)[C@](C)(C#N)CC3
InChIInChI=1S/C15H13NO3/c1-15(8-16)6-5-11-10-4-3-9(18-2)7-12(10)19-13(11)14(15)17/h3-4,7H,5-6H2,1-2H3/t15-/m0/s1
InChIKeyOESHHDKHWUCFHI-HNNXBMFYSA-N
MW255.27 g/mol
LogP3.10
Rot. Bonds1

About (3S)-7-methoxy-3-methyl-4-oxo-1,2-dihydrodibenzofuran-3-carbonitrile

(3S)-7-methoxy-3-methyl-4-oxo-1,2-dihydrodibenzofuran-3-carbonitrile (PubChem CID 86339794) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is (3S)-7-methoxy-3-methyl-4-oxo-1,2-dihydrodibenzofuran-3-carbonitrile.

Molecular Properties

Compound Name(3S)-7-methoxy-3-methyl-4-oxo-1,2-dihydrodibenzofuran-3-carbonitrile
PubChem CID86339794
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name(3S)-7-methoxy-3-methyl-4-oxo-1,2-dihydrodibenzofuran-3-carbonitrile
SMILESCOc1ccc2c3c(oc2c1)C(=O)[C@](C)(C#N)CC3
InChIInChI=1S/C15H13NO3/c1-15(8-16)6-5-11-10-4-3-9(18-2)7-12(10)19-13(11)14(15)17/h3-4,7H,5-6H2,1-2H3/t15-/m0/s1
InChIKeyOESHHDKHWUCFHI-HNNXBMFYSA-N
XLogP3.10
TPSA63.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-methoxy-2-(4-methoxyphenyl)-4-oxochromene-3-carbonitrile
CID 71378369
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CID 5311257
3,9-dimethoxy-6H-[1]benzofuro[3,2-c]chromene
CID 624785
2,4-diiodo-6-methoxy-3-oxoxanthene-9-carbonitrile
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2-ethynyl-4-(7-methoxy-4-oxochromen-2-yl)benzonitrile
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7-methoxy-3,4-dihydro-[1]benzofuro[2,3-c]pyridine
CID 67957870
1-[(7-methoxy-2-oxochromen-4-yl)methyl]pyrrolidine-2,5-dione
CID 7819577
3-amino-7-methoxy-2-phenylchromen-4-one
CID 101481005
4-(iodomethyl)-7-methoxychromen-2-one
CID 129188629
4-amino-8-methoxy-2,3-dihydro-1H-cyclopenta[a]xanthen-11-one
CID 102314275
1-(4-methoxy-2-methylphenyl)sulfonylcyclobutane-1-carbonitrile
CID 117032338
9-methoxy-3,4-dihydro-1H-[1]benzofuro[3,2-b]azepine-2,5-dione
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Frequently Asked Questions

What is the IUPAC name of (3S)-7-methoxy-3-methyl-4-oxo-1,2-dihydrodibenzofuran-3-carbonitrile?
The IUPAC name of (3S)-7-methoxy-3-methyl-4-oxo-1,2-dihydrodibenzofuran-3-carbonitrile (CID 86339794) is (3S)-7-methoxy-3-methyl-4-oxo-1,2-dihydrodibenzofuran-3-carbonitrile.
What is the SMILES notation for (3S)-7-methoxy-3-methyl-4-oxo-1,2-dihydrodibenzofuran-3-carbonitrile?
The canonical SMILES for (3S)-7-methoxy-3-methyl-4-oxo-1,2-dihydrodibenzofuran-3-carbonitrile is COc1ccc2c3c(oc2c1)C(=O)[C@](C)(C#N)CC3.
What is the InChIKey of (3S)-7-methoxy-3-methyl-4-oxo-1,2-dihydrodibenzofuran-3-carbonitrile?
The InChIKey is OESHHDKHWUCFHI-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H13NO3/c1-15(8-16)6-5-11-10-4-3-9(18-2)7-12(10)19-13(11)14(15)17/h3-4,7H,5-6H2,1-2H3/t15-/m0/s1.
What are the key properties of (3S)-7-methoxy-3-methyl-4-oxo-1,2-dihydrodibenzofuran-3-carbonitrile?
(3S)-7-methoxy-3-methyl-4-oxo-1,2-dihydrodibenzofuran-3-carbonitrile has a molecular weight of 255.27 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-7-methoxy-3-methyl-4-oxo-1,2-dihydrodibenzofuran-3-carbonitrile is sourced from PubChem (CID 86339794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).