1-(3,4-dihydro-2H-chromen-4-yl)-2-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]ethanone

C23H21NO3 — CID 158116708

IUPAC1-(3,4-dihydro-2H-chromen-4-yl)-2-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]ethanone
SMILESO=C(Cc1ccc(-c2ccncc2)c(CO)c1)C1CCOc2ccccc21
InChIInChI=1S/C23H21NO3/c25-15-18-13-16(5-6-19(18)17-7-10-24-11-8-17)14-22(26)20-9-12-27-23-4-2-1-3-21(20)23/h1-8,10-11,13,20,25H,9,12,14-15H2
InChIKeyFRCFJVWRJCAGAT-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.92
Rot. Bonds5

About 1-(3,4-dihydro-2H-chromen-4-yl)-2-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]ethanone

1-(3,4-dihydro-2H-chromen-4-yl)-2-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]ethanone (PubChem CID 158116708) has the molecular formula C23H21NO3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-4-yl)-2-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-yl)-2-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]ethanone
PubChem CID158116708
Molecular FormulaC23H21NO3
Molecular Weight359.43 g/mol
Exact Mass359.15
IUPAC Name1-(3,4-dihydro-2H-chromen-4-yl)-2-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]ethanone
SMILESO=C(Cc1ccc(-c2ccncc2)c(CO)c1)C1CCOc2ccccc21
InChIInChI=1S/C23H21NO3/c25-15-18-13-16(5-6-19(18)17-7-10-24-11-8-17)14-22(26)20-9-12-27-23-4-2-1-3-21(20)23/h1-8,10-11,13,20,25H,9,12,14-15H2
InChIKeyFRCFJVWRJCAGAT-UHFFFAOYSA-N
XLogP3.92
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanone
CID 65408731
2-cyclopropyl-1-(3,4-dihydro-2H-chromen-4-yl)ethanone
CID 63709217
1-(3,4-dihydro-2H-chromen-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 65407389
1-(3,4-dihydro-2H-chromen-4-yl)-2-(5-ethylthiophen-2-yl)ethanone
CID 65407954
2-(2-chloro-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanone
CID 65408732
3,4-dihydro-2H-chromen-4-yl-(5-methylthiophen-3-yl)methanone
CID 65407582
1-(3,4-dihydro-2H-chromen-4-yl)-4,4-dimethylpentan-1-one
CID 65409112
1-(3,4-dihydro-2H-chromen-4-yl)-3-(3-methylphenyl)propan-1-one
CID 63710119
N-[(4-aminophenyl)methyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 63710270
N-(3,4-dihydro-2H-chromen-4-yl)pyridine-4-carboxamide
CID 18164392
1,3-benzodioxol-5-yl(3,4-dihydro-2H-chromen-4-yl)methanone
CID 63709213
1-(3,4-dihydro-2H-chromen-4-yl)-3-methylhexan-1-one
CID 65409121

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-2-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]ethanone?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-2-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]ethanone (CID 158116708) is 1-(3,4-dihydro-2H-chromen-4-yl)-2-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]ethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-yl)-2-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]ethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-yl)-2-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]ethanone is O=C(Cc1ccc(-c2ccncc2)c(CO)c1)C1CCOc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-yl)-2-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]ethanone?
The InChIKey is FRCFJVWRJCAGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO3/c25-15-18-13-16(5-6-19(18)17-7-10-24-11-8-17)14-22(26)20-9-12-27-23-4-2-1-3-21(20)23/h1-8,10-11,13,20,25H,9,12,14-15H2.
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-yl)-2-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]ethanone?
1-(3,4-dihydro-2H-chromen-4-yl)-2-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]ethanone has a molecular weight of 359.43 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-4-yl)-2-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]ethanone is sourced from PubChem (CID 158116708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).