2-(2-pyridin-2-ylethyl)-2,3-dihydrobenzo[h]chromen-4-one

C20H17NO2 — CID 175158705

IUPAC2-(2-pyridin-2-ylethyl)-2,3-dihydrobenzo[h]chromen-4-one
SMILESO=C1CC(CCc2ccccn2)Oc2c1ccc1ccccc21
InChIInChI=1S/C20H17NO2/c22-19-13-16(10-9-15-6-3-4-12-21-15)23-20-17-7-2-1-5-14(17)8-11-18(19)20/h1-8,11-12,16H,9-10,13H2
InChIKeyMSMDZQDIFYGTHB-UHFFFAOYSA-N
MW303.36 g/mol
LogP4.20
Rot. Bonds3

About 2-(2-pyridin-2-ylethyl)-2,3-dihydrobenzo[h]chromen-4-one

2-(2-pyridin-2-ylethyl)-2,3-dihydrobenzo[h]chromen-4-one (PubChem CID 175158705) has the molecular formula C20H17NO2 and a molecular weight of 303.36 g/mol. Its IUPAC name is 2-(2-pyridin-2-ylethyl)-2,3-dihydrobenzo[h]chromen-4-one.

Molecular Properties

Compound Name2-(2-pyridin-2-ylethyl)-2,3-dihydrobenzo[h]chromen-4-one
PubChem CID175158705
Molecular FormulaC20H17NO2
Molecular Weight303.36 g/mol
Exact Mass303.13
IUPAC Name2-(2-pyridin-2-ylethyl)-2,3-dihydrobenzo[h]chromen-4-one
SMILESO=C1CC(CCc2ccccn2)Oc2c1ccc1ccccc21
InChIInChI=1S/C20H17NO2/c22-19-13-16(10-9-15-6-3-4-12-21-15)23-20-17-7-2-1-5-14(17)8-11-18(19)20/h1-8,11-12,16H,9-10,13H2
InChIKeyMSMDZQDIFYGTHB-UHFFFAOYSA-N
XLogP4.20
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-oxo-2-(2-phenylethyl)-2,3-dihydrochromene-8-carboxylic acid
CID 139898972
2-[2-(6-methyl-3,6-dihydro-2H-pyran-2-yl)ethyl]pyridine
CID 122392144
6-hydroxy-5-(2-pyridin-2-ylethyl)-3,4-dihydro-2H-naphthalen-1-one
CID 22324870
2-(2-pyridin-2-ylethyl)cyclohexan-1-one
CID 12813906
3-phenyl-1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione
CID 134109848
3-(2-pyridin-2-ylethyl)piperidin-2-one
CID 104679210
1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione
CID 571854
2-[(4-naphthalen-1-ylnaphthalen-1-yl)methyl]pyridine
CID 58939537
5-phenyl-2-(2-pyridin-2-ylethyliminomethyl)cyclohexane-1,3-dione
CID 7313044
(3R)-3-naphthalen-1-yl-2,3-dihydroinden-1-one
CID 134952620
2-(14-pyridin-2-yltetradecyl)pyridine
CID 10594187
2-[2-(2-pyrrolidin-1-ylphenyl)ethyl]pyridine
CID 168512294

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyridin-2-ylethyl)-2,3-dihydrobenzo[h]chromen-4-one?
The IUPAC name of 2-(2-pyridin-2-ylethyl)-2,3-dihydrobenzo[h]chromen-4-one (CID 175158705) is 2-(2-pyridin-2-ylethyl)-2,3-dihydrobenzo[h]chromen-4-one.
What is the SMILES notation for 2-(2-pyridin-2-ylethyl)-2,3-dihydrobenzo[h]chromen-4-one?
The canonical SMILES for 2-(2-pyridin-2-ylethyl)-2,3-dihydrobenzo[h]chromen-4-one is O=C1CC(CCc2ccccn2)Oc2c1ccc1ccccc21.
What is the InChIKey of 2-(2-pyridin-2-ylethyl)-2,3-dihydrobenzo[h]chromen-4-one?
The InChIKey is MSMDZQDIFYGTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO2/c22-19-13-16(10-9-15-6-3-4-12-21-15)23-20-17-7-2-1-5-14(17)8-11-18(19)20/h1-8,11-12,16H,9-10,13H2.
What are the key properties of 2-(2-pyridin-2-ylethyl)-2,3-dihydrobenzo[h]chromen-4-one?
2-(2-pyridin-2-ylethyl)-2,3-dihydrobenzo[h]chromen-4-one has a molecular weight of 303.36 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyridin-2-ylethyl)-2,3-dihydrobenzo[h]chromen-4-one is sourced from PubChem (CID 175158705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).