(2S)-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-6-ol

C15H15NO2 — CID 129388939

IUPAC(2S)-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-6-ol
SMILESCc1ccc([C@@H]2CCc3cc(O)ccc3O2)cn1
InChIInChI=1S/C15H15NO2/c1-10-2-3-12(9-16-10)15-6-4-11-8-13(17)5-7-14(11)18-15/h2-3,5,7-9,15,17H,4,6H2,1H3/t15-/m0/s1
InChIKeyQRMWBHUCFAEVCY-HNNXBMFYSA-N
MW241.29 g/mol
LogP3.16
Rot. Bonds1

About (2S)-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-6-ol

(2S)-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-6-ol (PubChem CID 129388939) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is (2S)-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-6-ol.

Molecular Properties

Compound Name(2S)-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-6-ol
PubChem CID129388939
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name(2S)-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-6-ol
SMILESCc1ccc([C@@H]2CCc3cc(O)ccc3O2)cn1
InChIInChI=1S/C15H15NO2/c1-10-2-3-12(9-16-10)15-6-4-11-8-13(17)5-7-14(11)18-15/h2-3,5,7-9,15,17H,4,6H2,1H3/t15-/m0/s1
InChIKeyQRMWBHUCFAEVCY-HNNXBMFYSA-N
XLogP3.16
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-6-ol?
The IUPAC name of (2S)-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-6-ol (CID 129388939) is (2S)-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-6-ol.
What is the SMILES notation for (2S)-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-6-ol?
The canonical SMILES for (2S)-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-6-ol is Cc1ccc([C@@H]2CCc3cc(O)ccc3O2)cn1.
What is the InChIKey of (2S)-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-6-ol?
The InChIKey is QRMWBHUCFAEVCY-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-10-2-3-12(9-16-10)15-6-4-11-8-13(17)5-7-14(11)18-15/h2-3,5,7-9,15,17H,4,6H2,1H3/t15-/m0/s1.
What are the key properties of (2S)-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-6-ol?
(2S)-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-6-ol has a molecular weight of 241.29 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-6-ol is sourced from PubChem (CID 129388939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).