2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-6-methylpyridine

C17H19NO2 — CID 72901612

IUPAC2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-6-methylpyridine
SMILESCOc1cccc2c1OCC(Cc1cccc(C)n1)C2
InChIInChI=1S/C17H19NO2/c1-12-5-3-7-15(18-12)10-13-9-14-6-4-8-16(19-2)17(14)20-11-13/h3-8,13H,9-11H2,1-2H3
InChIKeyQBSYHIBKVRCEOG-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.19
Rot. Bonds3

About 2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-6-methylpyridine

2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-6-methylpyridine (PubChem CID 72901612) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-6-methylpyridine.

Molecular Properties

Compound Name2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-6-methylpyridine
PubChem CID72901612
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-6-methylpyridine
SMILESCOc1cccc2c1OCC(Cc1cccc(C)n1)C2
InChIInChI=1S/C17H19NO2/c1-12-5-3-7-15(18-12)10-13-9-14-6-4-8-16(19-2)17(14)20-11-13/h3-8,13H,9-11H2,1-2H3
InChIKeyQBSYHIBKVRCEOG-UHFFFAOYSA-N
XLogP3.19
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-dimethoxy-2-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyrimidine
CID 97198058
4-N-cyclopropyl-6-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidine-2,4-diamine
CID 72899135
6-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-N,N-dimethylpyridazin-3-amine
CID 72853363
6-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidin-4-amine
CID 72847083
2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidin-4-amine
CID 72901870
3-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-6-pyrrolidin-1-ylpyridazine
CID 72877522
2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-4-(trifluoromethyl)pyridine
CID 72928065
N-ethyl-2-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-N-methylpyrimidin-4-amine
CID 97275974
N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2,6-dimethylpyridine-4-carboxamide
CID 99929986
[6-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 97192014
[6-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 97192015
2-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]benzamide
CID 97286229

Frequently Asked Questions

What is the IUPAC name of 2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-6-methylpyridine?
The IUPAC name of 2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-6-methylpyridine (CID 72901612) is 2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-6-methylpyridine.
What is the SMILES notation for 2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-6-methylpyridine?
The canonical SMILES for 2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-6-methylpyridine is COc1cccc2c1OCC(Cc1cccc(C)n1)C2.
What is the InChIKey of 2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-6-methylpyridine?
The InChIKey is QBSYHIBKVRCEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-12-5-3-7-15(18-12)10-13-9-14-6-4-8-16(19-2)17(14)20-11-13/h3-8,13H,9-11H2,1-2H3.
What are the key properties of 2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-6-methylpyridine?
2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-6-methylpyridine has a molecular weight of 269.34 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-6-methylpyridine is sourced from PubChem (CID 72901612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).