1-(3,4-dihydro-2H-chromen-8-yl)-3-pyridin-2-ylpropan-1-ol

C17H19NO2 — CID 105130678

IUPAC1-(3,4-dihydro-2H-chromen-8-yl)-3-pyridin-2-ylpropan-1-ol
SMILESOC(CCc1ccccn1)c1cccc2c1OCCC2
InChIInChI=1S/C17H19NO2/c19-16(10-9-14-7-1-2-11-18-14)15-8-3-5-13-6-4-12-20-17(13)15/h1-3,5,7-8,11,16,19H,4,6,9-10,12H2
InChIKeyQQCXODJZQHXTBX-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.07
Rot. Bonds4

About 1-(3,4-dihydro-2H-chromen-8-yl)-3-pyridin-2-ylpropan-1-ol

1-(3,4-dihydro-2H-chromen-8-yl)-3-pyridin-2-ylpropan-1-ol (PubChem CID 105130678) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-8-yl)-3-pyridin-2-ylpropan-1-ol.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-8-yl)-3-pyridin-2-ylpropan-1-ol
PubChem CID105130678
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name1-(3,4-dihydro-2H-chromen-8-yl)-3-pyridin-2-ylpropan-1-ol
SMILESOC(CCc1ccccn1)c1cccc2c1OCCC2
InChIInChI=1S/C17H19NO2/c19-16(10-9-14-7-1-2-11-18-14)15-8-3-5-13-6-4-12-20-17(13)15/h1-3,5,7-8,11,16,19H,4,6,9-10,12H2
InChIKeyQQCXODJZQHXTBX-UHFFFAOYSA-N
XLogP3.07
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-chromen-8-yl)-3-(dimethylamino)propan-1-ol
CID 114744719
1-(3,4-dihydro-2H-pyran-6-yl)-3-pyridin-2-ylpropan-1-ol
CID 102649748
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-pyridin-2-ylpropan-1-ol
CID 105094348
4-chloro-1-(2,3-dihydro-1-benzofuran-7-yl)butan-1-ol
CID 114744598
1-(2-chlorophenyl)-3-pyridin-2-ylpropan-1-ol
CID 105079856
1-(3,4-dihydro-2H-chromen-8-yl)-2-(2-fluorophenyl)ethanol
CID 114744473
3,4-dihydro-2H-chromen-8-yl(pyrimidin-2-yl)methanamine
CID 114744922
1-(3,4-dihydro-2H-chromen-8-yl)-2-propylsulfanylethanol
CID 114744556
1-(3,4-dihydro-2H-chromen-8-yl)-2-thiophen-3-ylethanol
CID 105130684
1-(3,4-dihydro-2H-chromen-8-yl)-2-(2-methoxyethylamino)ethanol
CID 114747435
3,4-dihydro-2H-chromen-8-yl-(2-iodophenyl)methanol
CID 115837843
3,4-dihydro-2H-chromen-8-yl-(2-methylphenyl)methanol
CID 114743328

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-8-yl)-3-pyridin-2-ylpropan-1-ol?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-8-yl)-3-pyridin-2-ylpropan-1-ol (CID 105130678) is 1-(3,4-dihydro-2H-chromen-8-yl)-3-pyridin-2-ylpropan-1-ol.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-8-yl)-3-pyridin-2-ylpropan-1-ol?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-8-yl)-3-pyridin-2-ylpropan-1-ol is OC(CCc1ccccn1)c1cccc2c1OCCC2.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-8-yl)-3-pyridin-2-ylpropan-1-ol?
The InChIKey is QQCXODJZQHXTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c19-16(10-9-14-7-1-2-11-18-14)15-8-3-5-13-6-4-12-20-17(13)15/h1-3,5,7-8,11,16,19H,4,6,9-10,12H2.
What are the key properties of 1-(3,4-dihydro-2H-chromen-8-yl)-3-pyridin-2-ylpropan-1-ol?
1-(3,4-dihydro-2H-chromen-8-yl)-3-pyridin-2-ylpropan-1-ol has a molecular weight of 269.34 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-8-yl)-3-pyridin-2-ylpropan-1-ol is sourced from PubChem (CID 105130678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).