6-[(5-chloro-2-pyridinyl)oxy]-2-phenyl-2,3-dihydrochromen-4-one

C20H14ClNO3 — CID 69018063

IUPAC6-[(5-chloro-2-pyridinyl)oxy]-2-phenyl-2,3-dihydrochromen-4-one
SMILESO=C1CC(c2ccccc2)Oc2ccc(Oc3ccc(Cl)cn3)cc21
InChIInChI=1S/C20H14ClNO3/c21-14-6-9-20(22-12-14)24-15-7-8-18-16(10-15)17(23)11-19(25-18)13-4-2-1-3-5-13/h1-10,12,19H,11H2
InChIKeyKQPHZSGMLYDJPM-UHFFFAOYSA-N
MW351.79 g/mol
LogP5.23
Rot. Bonds3

About 6-[(5-chloro-2-pyridinyl)oxy]-2-phenyl-2,3-dihydrochromen-4-one

6-[(5-chloro-2-pyridinyl)oxy]-2-phenyl-2,3-dihydrochromen-4-one (PubChem CID 69018063) has the molecular formula C20H14ClNO3 and a molecular weight of 351.79 g/mol. Its IUPAC name is 6-[(5-chloro-2-pyridinyl)oxy]-2-phenyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name6-[(5-chloro-2-pyridinyl)oxy]-2-phenyl-2,3-dihydrochromen-4-one
PubChem CID69018063
Molecular FormulaC20H14ClNO3
Molecular Weight351.79 g/mol
Exact Mass351.07
IUPAC Name6-[(5-chloro-2-pyridinyl)oxy]-2-phenyl-2,3-dihydrochromen-4-one
SMILESO=C1CC(c2ccccc2)Oc2ccc(Oc3ccc(Cl)cn3)cc21
InChIInChI=1S/C20H14ClNO3/c21-14-6-9-20(22-12-14)24-15-7-8-18-16(10-15)17(23)11-19(25-18)13-4-2-1-3-5-13/h1-10,12,19H,11H2
InChIKeyKQPHZSGMLYDJPM-UHFFFAOYSA-N
XLogP5.23
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.79
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-chloro-2-pyridinyl)oxy]-2-phenyl-2,3-dihydrochromen-4-one?
The IUPAC name of 6-[(5-chloro-2-pyridinyl)oxy]-2-phenyl-2,3-dihydrochromen-4-one (CID 69018063) is 6-[(5-chloro-2-pyridinyl)oxy]-2-phenyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 6-[(5-chloro-2-pyridinyl)oxy]-2-phenyl-2,3-dihydrochromen-4-one?
The canonical SMILES for 6-[(5-chloro-2-pyridinyl)oxy]-2-phenyl-2,3-dihydrochromen-4-one is O=C1CC(c2ccccc2)Oc2ccc(Oc3ccc(Cl)cn3)cc21.
What is the InChIKey of 6-[(5-chloro-2-pyridinyl)oxy]-2-phenyl-2,3-dihydrochromen-4-one?
The InChIKey is KQPHZSGMLYDJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClNO3/c21-14-6-9-20(22-12-14)24-15-7-8-18-16(10-15)17(23)11-19(25-18)13-4-2-1-3-5-13/h1-10,12,19H,11H2.
What are the key properties of 6-[(5-chloro-2-pyridinyl)oxy]-2-phenyl-2,3-dihydrochromen-4-one?
6-[(5-chloro-2-pyridinyl)oxy]-2-phenyl-2,3-dihydrochromen-4-one has a molecular weight of 351.79 g/mol, XLogP of 5.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-chloro-2-pyridinyl)oxy]-2-phenyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 69018063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).