4-(2-hydroxy-3-methoxyphenyl)-6-naphthalen-2-yl-1H-pyridin-2-one

C22H17NO3 — CID 100996420

IUPAC4-(2-hydroxy-3-methoxyphenyl)-6-naphthalen-2-yl-1H-pyridin-2-one
SMILESCOc1cccc(-c2cc(-c3ccc4ccccc4c3)[nH]c(=O)c2)c1O
InChIInChI=1S/C22H17NO3/c1-26-20-8-4-7-18(22(20)25)17-12-19(23-21(24)13-17)16-10-9-14-5-2-3-6-15(14)11-16/h2-13,25H,1H3,(H,23,24)
InChIKeyNBGSLDGMAITXBY-UHFFFAOYSA-N
MW343.38 g/mol
LogP4.58
Rot. Bonds3

About 4-(2-hydroxy-3-methoxyphenyl)-6-naphthalen-2-yl-1H-pyridin-2-one

4-(2-hydroxy-3-methoxyphenyl)-6-naphthalen-2-yl-1H-pyridin-2-one (PubChem CID 100996420) has the molecular formula C22H17NO3 and a molecular weight of 343.38 g/mol. Its IUPAC name is 4-(2-hydroxy-3-methoxyphenyl)-6-naphthalen-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(2-hydroxy-3-methoxyphenyl)-6-naphthalen-2-yl-1H-pyridin-2-one
PubChem CID100996420
Molecular FormulaC22H17NO3
Molecular Weight343.38 g/mol
Exact Mass343.12
IUPAC Name4-(2-hydroxy-3-methoxyphenyl)-6-naphthalen-2-yl-1H-pyridin-2-one
SMILESCOc1cccc(-c2cc(-c3ccc4ccccc4c3)[nH]c(=O)c2)c1O
InChIInChI=1S/C22H17NO3/c1-26-20-8-4-7-18(22(20)25)17-12-19(23-21(24)13-17)16-10-9-14-5-2-3-6-15(14)11-16/h2-13,25H,1H3,(H,23,24)
InChIKeyNBGSLDGMAITXBY-UHFFFAOYSA-N
XLogP4.58
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxy-3-methoxyphenyl)-6-naphthalen-2-yl-1H-pyridin-2-one?
The IUPAC name of 4-(2-hydroxy-3-methoxyphenyl)-6-naphthalen-2-yl-1H-pyridin-2-one (CID 100996420) is 4-(2-hydroxy-3-methoxyphenyl)-6-naphthalen-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 4-(2-hydroxy-3-methoxyphenyl)-6-naphthalen-2-yl-1H-pyridin-2-one?
The canonical SMILES for 4-(2-hydroxy-3-methoxyphenyl)-6-naphthalen-2-yl-1H-pyridin-2-one is COc1cccc(-c2cc(-c3ccc4ccccc4c3)[nH]c(=O)c2)c1O.
What is the InChIKey of 4-(2-hydroxy-3-methoxyphenyl)-6-naphthalen-2-yl-1H-pyridin-2-one?
The InChIKey is NBGSLDGMAITXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO3/c1-26-20-8-4-7-18(22(20)25)17-12-19(23-21(24)13-17)16-10-9-14-5-2-3-6-15(14)11-16/h2-13,25H,1H3,(H,23,24).
What are the key properties of 4-(2-hydroxy-3-methoxyphenyl)-6-naphthalen-2-yl-1H-pyridin-2-one?
4-(2-hydroxy-3-methoxyphenyl)-6-naphthalen-2-yl-1H-pyridin-2-one has a molecular weight of 343.38 g/mol, XLogP of 4.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxy-3-methoxyphenyl)-6-naphthalen-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 100996420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).