6-[(5-chloro-2-pyridinyl)oxy]-2-phenyl-3,4-dihydro-2H-naphthalen-1-one

C21H16ClNO2 — CID 69015425

IUPAC6-[(5-chloro-2-pyridinyl)oxy]-2-phenyl-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1c2ccc(Oc3ccc(Cl)cn3)cc2CCC1c1ccccc1
InChIInChI=1S/C21H16ClNO2/c22-16-7-11-20(23-13-16)25-17-8-10-19-15(12-17)6-9-18(21(19)24)14-4-2-1-3-5-14/h1-5,7-8,10-13,18H,6,9H2
InChIKeyFKENTTIMMABVRP-UHFFFAOYSA-N
MW349.82 g/mol
LogP5.44
Rot. Bonds3

About 6-[(5-chloro-2-pyridinyl)oxy]-2-phenyl-3,4-dihydro-2H-naphthalen-1-one

6-[(5-chloro-2-pyridinyl)oxy]-2-phenyl-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 69015425) has the molecular formula C21H16ClNO2 and a molecular weight of 349.82 g/mol. Its IUPAC name is 6-[(5-chloro-2-pyridinyl)oxy]-2-phenyl-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6-[(5-chloro-2-pyridinyl)oxy]-2-phenyl-3,4-dihydro-2H-naphthalen-1-one
PubChem CID69015425
Molecular FormulaC21H16ClNO2
Molecular Weight349.82 g/mol
Exact Mass349.09
IUPAC Name6-[(5-chloro-2-pyridinyl)oxy]-2-phenyl-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1c2ccc(Oc3ccc(Cl)cn3)cc2CCC1c1ccccc1
InChIInChI=1S/C21H16ClNO2/c22-16-7-11-20(23-13-16)25-17-8-10-19-15(12-17)6-9-18(21(19)24)14-4-2-1-3-5-14/h1-5,7-8,10-13,18H,6,9H2
InChIKeyFKENTTIMMABVRP-UHFFFAOYSA-N
XLogP5.44
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.82
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-chloro-2-pyridinyl)oxy]-2-phenyl-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 6-[(5-chloro-2-pyridinyl)oxy]-2-phenyl-3,4-dihydro-2H-naphthalen-1-one (CID 69015425) is 6-[(5-chloro-2-pyridinyl)oxy]-2-phenyl-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 6-[(5-chloro-2-pyridinyl)oxy]-2-phenyl-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 6-[(5-chloro-2-pyridinyl)oxy]-2-phenyl-3,4-dihydro-2H-naphthalen-1-one is O=C1c2ccc(Oc3ccc(Cl)cn3)cc2CCC1c1ccccc1.
What is the InChIKey of 6-[(5-chloro-2-pyridinyl)oxy]-2-phenyl-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is FKENTTIMMABVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClNO2/c22-16-7-11-20(23-13-16)25-17-8-10-19-15(12-17)6-9-18(21(19)24)14-4-2-1-3-5-14/h1-5,7-8,10-13,18H,6,9H2.
What are the key properties of 6-[(5-chloro-2-pyridinyl)oxy]-2-phenyl-3,4-dihydro-2H-naphthalen-1-one?
6-[(5-chloro-2-pyridinyl)oxy]-2-phenyl-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 349.82 g/mol, XLogP of 5.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-chloro-2-pyridinyl)oxy]-2-phenyl-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 69015425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).