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

C17H17NO2 — CID 105133622

IUPAC3,4-dihydro-2H-chromen-8-yl-(2,6-dimethyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)c2cccc3c2OCCC3)c(C)n1
InChIInChI=1S/C17H17NO2/c1-11-8-9-14(12(2)18-11)16(19)15-7-3-5-13-6-4-10-20-17(13)15/h3,5,7-9H,4,6,10H2,1-2H3
InChIKeyOGJAZDPOPJJKBK-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.25
Rot. Bonds2

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

3,4-dihydro-2H-chromen-8-yl-(2,6-dimethyl-3-pyridinyl)methanone (PubChem CID 105133622) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-8-yl-(2,6-dimethyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-8-yl-(2,6-dimethyl-3-pyridinyl)methanone
PubChem CID105133622
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name3,4-dihydro-2H-chromen-8-yl-(2,6-dimethyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)c2cccc3c2OCCC3)c(C)n1
InChIInChI=1S/C17H17NO2/c1-11-8-9-14(12(2)18-11)16(19)15-7-3-5-13-6-4-10-20-17(13)15/h3,5,7-9H,4,6,10H2,1-2H3
InChIKeyOGJAZDPOPJJKBK-UHFFFAOYSA-N
XLogP3.25
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dihydro-2H-chromen-8-yl-(6-methyl-3-pyridinyl)methanone
CID 105133567
1-(3,4-dihydro-2H-chromen-8-yl)ethanone
CID 82599043
(2-chlorofuran-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methanone
CID 106691322
(5-chloro-2-methylphenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone
CID 115811210
3,4-dihydro-2H-chromen-8-yl-(2,4,5-trimethylfuran-3-yl)methanone
CID 115811307
(4-chloro-2-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone
CID 114744096
3,4-dihydro-2H-chromen-8-yl-(6-methoxypyridazin-3-yl)methanone
CID 103373276
3,4-dihydro-2H-chromen-8-yl-(2-fluoro-4-methoxyphenyl)methanone
CID 114744317
(3-bromo-5-methylphenyl)-(3,4-dihydro-2H-chromen-8-yl)methanone
CID 115811284
3,4-dihydro-2H-chromen-8-yl(thiadiazol-4-yl)methanone
CID 105133667
3,4-dihydro-2H-chromen-8-yl-(2,4,6-trifluorophenyl)methanone
CID 115811189
(2,3-dimethylphenyl) 3,4-dihydro-2H-chromene-8-carboxylate
CID 90702870

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-8-yl-(2,6-dimethyl-3-pyridinyl)methanone?
The IUPAC name of 3,4-dihydro-2H-chromen-8-yl-(2,6-dimethyl-3-pyridinyl)methanone (CID 105133622) is 3,4-dihydro-2H-chromen-8-yl-(2,6-dimethyl-3-pyridinyl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-chromen-8-yl-(2,6-dimethyl-3-pyridinyl)methanone?
The canonical SMILES for 3,4-dihydro-2H-chromen-8-yl-(2,6-dimethyl-3-pyridinyl)methanone is Cc1ccc(C(=O)c2cccc3c2OCCC3)c(C)n1.
What is the InChIKey of 3,4-dihydro-2H-chromen-8-yl-(2,6-dimethyl-3-pyridinyl)methanone?
The InChIKey is OGJAZDPOPJJKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-11-8-9-14(12(2)18-11)16(19)15-7-3-5-13-6-4-10-20-17(13)15/h3,5,7-9H,4,6,10H2,1-2H3.
What are the key properties of 3,4-dihydro-2H-chromen-8-yl-(2,6-dimethyl-3-pyridinyl)methanone?
3,4-dihydro-2H-chromen-8-yl-(2,6-dimethyl-3-pyridinyl)methanone has a molecular weight of 267.33 g/mol, XLogP of 3.25, 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-(2,6-dimethyl-3-pyridinyl)methanone is sourced from PubChem (CID 105133622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).