3-bromo-4-(2-methylcyclohexyl)oxy-6-(2-phenylethyl)-1H-pyridin-2-one

C20H24BrNO2 — CID 71654835

IUPAC3-bromo-4-(2-methylcyclohexyl)oxy-6-(2-phenylethyl)-1H-pyridin-2-one
SMILESCC1CCCCC1Oc1cc(CCc2ccccc2)[nH]c(=O)c1Br
InChIInChI=1S/C20H24BrNO2/c1-14-7-5-6-10-17(14)24-18-13-16(22-20(23)19(18)21)12-11-15-8-3-2-4-9-15/h2-4,8-9,13-14,17H,5-7,10-12H2,1H3,(H,22,23)
InChIKeySMXPCJRIDCOTHO-UHFFFAOYSA-N
MW390.32 g/mol
LogP4.88
Rot. Bonds5

About 3-bromo-4-(2-methylcyclohexyl)oxy-6-(2-phenylethyl)-1H-pyridin-2-one

3-bromo-4-(2-methylcyclohexyl)oxy-6-(2-phenylethyl)-1H-pyridin-2-one (PubChem CID 71654835) has the molecular formula C20H24BrNO2 and a molecular weight of 390.32 g/mol. Its IUPAC name is 3-bromo-4-(2-methylcyclohexyl)oxy-6-(2-phenylethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-bromo-4-(2-methylcyclohexyl)oxy-6-(2-phenylethyl)-1H-pyridin-2-one
PubChem CID71654835
Molecular FormulaC20H24BrNO2
Molecular Weight390.32 g/mol
Exact Mass389.10
IUPAC Name3-bromo-4-(2-methylcyclohexyl)oxy-6-(2-phenylethyl)-1H-pyridin-2-one
SMILESCC1CCCCC1Oc1cc(CCc2ccccc2)[nH]c(=O)c1Br
InChIInChI=1S/C20H24BrNO2/c1-14-7-5-6-10-17(14)24-18-13-16(22-20(23)19(18)21)12-11-15-8-3-2-4-9-15/h2-4,8-9,13-14,17H,5-7,10-12H2,1H3,(H,22,23)
InChIKeySMXPCJRIDCOTHO-UHFFFAOYSA-N
XLogP4.88
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.32
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-[(4-fluorophenyl)methyl]-3-isopropyl-4-(2-methylcyclohexoxy)-1H-pyridin-2-one
CID 53304030
3-isopropyl-4-(2-methylcyclohexoxy)-6-phenethyl-1H-pyridin-2-one
CID 53304032
6-benzyl-3-isopropyl-4-(2-methylcyclohexoxy)-1H-pyridin-2-one
CID 71655412
6-benzyl-3-iodo-4-(2-methylcyclohexoxy)-1H-pyridin-2-one
CID 71654830
3-iodo-4-(2-methylcyclohexoxy)-6-phenethyl-1H-pyridin-2-one
CID 71654898
3-isopropyl-4-(2-methylcyclohexoxy)-6-(p-tolylmethyl)-1H-pyridin-2-one
CID 71655473
4-[(1S,2R)-2-methylcyclohexyl]oxy-6-(2-phenylethyl)-3-propan-2-yl-1H-pyridin-2-one
CID 71655474
4-[(1S,2S)-2-methylcyclohexyl]oxy-6-(2-phenylethyl)-3-propan-2-yl-1H-pyridin-2-one
CID 71655475
6-benzyl-3-bromo-4-(2-methylcyclohexoxy)-1H-pyridin-2-one
CID 71654767
ethyl 6-benzyl-4-(2-methylcyclohexoxy)-2-oxo-1H-pyridine-3-carboxylate
CID 71655208
ethyl 4-(2-methylcyclohexoxy)-2-oxo-6-phenethyl-1H-pyridine-3-carboxylate
CID 53303924
6-benzyl-4-(2-methylcyclohexoxy)-1H-pyridin-2-one
CID 71654766

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(2-methylcyclohexyl)oxy-6-(2-phenylethyl)-1H-pyridin-2-one?
The IUPAC name of 3-bromo-4-(2-methylcyclohexyl)oxy-6-(2-phenylethyl)-1H-pyridin-2-one (CID 71654835) is 3-bromo-4-(2-methylcyclohexyl)oxy-6-(2-phenylethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-bromo-4-(2-methylcyclohexyl)oxy-6-(2-phenylethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-bromo-4-(2-methylcyclohexyl)oxy-6-(2-phenylethyl)-1H-pyridin-2-one is CC1CCCCC1Oc1cc(CCc2ccccc2)[nH]c(=O)c1Br.
What is the InChIKey of 3-bromo-4-(2-methylcyclohexyl)oxy-6-(2-phenylethyl)-1H-pyridin-2-one?
The InChIKey is SMXPCJRIDCOTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrNO2/c1-14-7-5-6-10-17(14)24-18-13-16(22-20(23)19(18)21)12-11-15-8-3-2-4-9-15/h2-4,8-9,13-14,17H,5-7,10-12H2,1H3,(H,22,23).
What are the key properties of 3-bromo-4-(2-methylcyclohexyl)oxy-6-(2-phenylethyl)-1H-pyridin-2-one?
3-bromo-4-(2-methylcyclohexyl)oxy-6-(2-phenylethyl)-1H-pyridin-2-one has a molecular weight of 390.32 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(2-methylcyclohexyl)oxy-6-(2-phenylethyl)-1H-pyridin-2-one is sourced from PubChem (CID 71654835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).