3,4-dihydro-2H-chromen-8-yl-(6-methyl-3-pyridinyl)methanone

C16H15NO2 — CID 105133567

IUPAC3,4-dihydro-2H-chromen-8-yl-(6-methyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)c2cccc3c2OCCC3)cn1
InChIInChI=1S/C16H15NO2/c1-11-7-8-13(10-17-11)15(18)14-6-2-4-12-5-3-9-19-16(12)14/h2,4,6-8,10H,3,5,9H2,1H3
InChIKeyVHRGHXHLNZSFOY-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.95
Rot. Bonds2

About 3,4-dihydro-2H-chromen-8-yl-(6-methyl-3-pyridinyl)methanone

3,4-dihydro-2H-chromen-8-yl-(6-methyl-3-pyridinyl)methanone (PubChem CID 105133567) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-8-yl-(6-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-8-yl-(6-methyl-3-pyridinyl)methanone
PubChem CID105133567
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name3,4-dihydro-2H-chromen-8-yl-(6-methyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)c2cccc3c2OCCC3)cn1
InChIInChI=1S/C16H15NO2/c1-11-7-8-13(10-17-11)15(18)14-6-2-4-12-5-3-9-19-16(12)14/h2,4,6-8,10H,3,5,9H2,1H3
InChIKeyVHRGHXHLNZSFOY-UHFFFAOYSA-N
XLogP2.95
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dihydro-2H-chromen-8-yl-(2,6-dimethyl-3-pyridinyl)methanone
CID 105133622
1-(3,4-dihydro-2H-chromen-8-yl)ethanone
CID 82599043
(4-amino-3-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone
CID 114747933
(4-chloro-3-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone
CID 107996770
3,4-dihydro-2H-chromen-8-yl-(2,4,5-trimethylfuran-3-yl)methanone
CID 115811307
2,3-dihydro-1-benzofuran-7-yl-(5-methyl-3-pyridinyl)methanone
CID 105135078
3,4-dihydro-2H-chromen-8-yl(thiadiazol-4-yl)methanone
CID 105133667
(2-chlorofuran-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methanone
CID 106691322
2,3-dihydro-1-benzofuran-7-yl-(3-methoxy-4-methylphenyl)methanone
CID 115814389
(5-chloro-2-methylphenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone
CID 115811210
3,4-dihydro-2H-chromen-8-yl-(6-methoxypyridazin-3-yl)methanone
CID 103373276
(4-tert-butylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 115814188

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-8-yl-(6-methyl-3-pyridinyl)methanone?
The IUPAC name of 3,4-dihydro-2H-chromen-8-yl-(6-methyl-3-pyridinyl)methanone (CID 105133567) is 3,4-dihydro-2H-chromen-8-yl-(6-methyl-3-pyridinyl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-chromen-8-yl-(6-methyl-3-pyridinyl)methanone?
The canonical SMILES for 3,4-dihydro-2H-chromen-8-yl-(6-methyl-3-pyridinyl)methanone is Cc1ccc(C(=O)c2cccc3c2OCCC3)cn1.
What is the InChIKey of 3,4-dihydro-2H-chromen-8-yl-(6-methyl-3-pyridinyl)methanone?
The InChIKey is VHRGHXHLNZSFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-11-7-8-13(10-17-11)15(18)14-6-2-4-12-5-3-9-19-16(12)14/h2,4,6-8,10H,3,5,9H2,1H3.
What are the key properties of 3,4-dihydro-2H-chromen-8-yl-(6-methyl-3-pyridinyl)methanone?
3,4-dihydro-2H-chromen-8-yl-(6-methyl-3-pyridinyl)methanone has a molecular weight of 253.30 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromen-8-yl-(6-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 105133567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).