1-(7-bromo-4-hydroxy-3,3,4-trimethylnaphthalen-1-yl)pyridin-2-one

C18H18BrNO2 — CID 14957789

IUPAC1-(7-bromo-4-hydroxy-3,3,4-trimethylnaphthalen-1-yl)pyridin-2-one
SMILESCC1(C)C=C(n2ccccc2=O)c2cc(Br)ccc2C1(C)O
InChIInChI=1S/C18H18BrNO2/c1-17(2)11-15(20-9-5-4-6-16(20)21)13-10-12(19)7-8-14(13)18(17,3)22/h4-11,22H,1-3H3
InChIKeyFSJFMTKALOSOLM-UHFFFAOYSA-N
MW360.25 g/mol
LogP3.75
Rot. Bonds1

About 1-(7-bromo-4-hydroxy-3,3,4-trimethylnaphthalen-1-yl)pyridin-2-one

1-(7-bromo-4-hydroxy-3,3,4-trimethylnaphthalen-1-yl)pyridin-2-one (PubChem CID 14957789) has the molecular formula C18H18BrNO2 and a molecular weight of 360.25 g/mol. Its IUPAC name is 1-(7-bromo-4-hydroxy-3,3,4-trimethylnaphthalen-1-yl)pyridin-2-one.

Molecular Properties

Compound Name1-(7-bromo-4-hydroxy-3,3,4-trimethylnaphthalen-1-yl)pyridin-2-one
PubChem CID14957789
Molecular FormulaC18H18BrNO2
Molecular Weight360.25 g/mol
Exact Mass359.05
IUPAC Name1-(7-bromo-4-hydroxy-3,3,4-trimethylnaphthalen-1-yl)pyridin-2-one
SMILESCC1(C)C=C(n2ccccc2=O)c2cc(Br)ccc2C1(C)O
InChIInChI=1S/C18H18BrNO2/c1-17(2)11-15(20-9-5-4-6-16(20)21)13-10-12(19)7-8-14(13)18(17,3)22/h4-11,22H,1-3H3
InChIKeyFSJFMTKALOSOLM-UHFFFAOYSA-N
XLogP3.75
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.25
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-4-hydroxy-3,3,4-trimethylnaphthalen-1-yl)pyridin-2-one?
The IUPAC name of 1-(7-bromo-4-hydroxy-3,3,4-trimethylnaphthalen-1-yl)pyridin-2-one (CID 14957789) is 1-(7-bromo-4-hydroxy-3,3,4-trimethylnaphthalen-1-yl)pyridin-2-one.
What is the SMILES notation for 1-(7-bromo-4-hydroxy-3,3,4-trimethylnaphthalen-1-yl)pyridin-2-one?
The canonical SMILES for 1-(7-bromo-4-hydroxy-3,3,4-trimethylnaphthalen-1-yl)pyridin-2-one is CC1(C)C=C(n2ccccc2=O)c2cc(Br)ccc2C1(C)O.
What is the InChIKey of 1-(7-bromo-4-hydroxy-3,3,4-trimethylnaphthalen-1-yl)pyridin-2-one?
The InChIKey is FSJFMTKALOSOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrNO2/c1-17(2)11-15(20-9-5-4-6-16(20)21)13-10-12(19)7-8-14(13)18(17,3)22/h4-11,22H,1-3H3.
What are the key properties of 1-(7-bromo-4-hydroxy-3,3,4-trimethylnaphthalen-1-yl)pyridin-2-one?
1-(7-bromo-4-hydroxy-3,3,4-trimethylnaphthalen-1-yl)pyridin-2-one has a molecular weight of 360.25 g/mol, XLogP of 3.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromo-4-hydroxy-3,3,4-trimethylnaphthalen-1-yl)pyridin-2-one is sourced from PubChem (CID 14957789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).