6-benzyl-4-hydroxy-3-phenyl-1H-pyridin-2-one;6-(cyclohexylmethyl)-4-hydroxy-3-phenyl-1H-pyridin-2-one;6-(cyclopentylmethyl)-4-hydroxy-3-phenyl-1H-pyridin-2-one;6-(cyclopropylmethyl)-4-hydroxy-3-phenyl-1H-pyridin-2-one

C68H70N4O8 — CID 159606681

IUPAC6-benzyl-4-hydroxy-3-phenyl-1H-pyridin-2-one;6-(cyclohexylmethyl)-4-hydroxy-3-phenyl-1H-pyridin-2-one;6-(cyclopentylmethyl)-4-hydroxy-3-phenyl-1H-pyridin-2-one;6-(cyclopropylmethyl)-4-hydroxy-3-phenyl-1H-pyridin-2-one
SMILESO=c1[nH]c(CC2CC2)cc(O)c1-c1ccccc1.O=c1[nH]c(CC2CCCC2)cc(O)c1-c1ccccc1.O=c1[nH]c(CC2CCCCC2)cc(O)c1-c1ccccc1.O=c1[nH]c(Cc2ccccc2)cc(O)c1-c1ccccc1
InChIInChI=1S/C18H21NO2.C18H15NO2.C17H19NO2.C15H15NO2/c2*20-16-12-15(11-13-7-3-1-4-8-13)19-18(21)17(16)14-9-5-2-6-10-14;19-15-11-14(10-12-6-4-5-7-12)18-17(20)16(15)13-8-2-1-3-9-13;17-13-9-12(8-10-6-7-10)16-15(18)14(13)11-4-2-1-3-5-11/h2,5-6,9-10,12-13H,1,3-4,7-8,11H2,(H2,19,20,21);1-10,12H,11H2,(H2,19,20,21);1-3,8-9,11-12H,4-7,10H2,(H2,18,19,20);1-5,9-10H,6-8H2,(H2,16,17,18)
InChIKeyMMDYHMOOMIDMAJ-UHFFFAOYSA-N
MW1071.33 g/mol
LogP13.39
Rot. Bonds12

About 6-benzyl-4-hydroxy-3-phenyl-1H-pyridin-2-one;6-(cyclohexylmethyl)-4-hydroxy-3-phenyl-1H-pyridin-2-one;6-(cyclopentylmethyl)-4-hydroxy-3-phenyl-1H-pyridin-2-one;6-(cyclopropylmethyl)-4-hydroxy-3-phenyl-1H-pyridin-2-one

6-benzyl-4-hydroxy-3-phenyl-1H-pyridin-2-one;6-(cyclohexylmethyl)-4-hydroxy-3-phenyl-1H-pyridin-2-one;6-(cyclopentylmethyl)-4-hydroxy-3-phenyl-1H-pyridin-2-one;6-(cyclopropylmethyl)-4-hydroxy-3-phenyl-1H-pyridin-2-one (PubChem CID 159606681) has the molecular formula C68H70N4O8 and a molecular weight of 1071.33 g/mol. Its IUPAC name is 6-benzyl-4-hydroxy-3-phenyl-1H-pyridin-2-one;6-(cyclohexylmethyl)-4-hydroxy-3-phenyl-1H-pyridin-2-one;6-(cyclopentylmethyl)-4-hydroxy-3-phenyl-1H-pyridin-2-one;6-(cyclopropylmethyl)-4-hydroxy-3-phenyl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-benzyl-4-hydroxy-3-phenyl-1H-pyridin-2-one;6-(cyclohexylmethyl)-4-hydroxy-3-phenyl-1H-pyridin-2-one;6-(cyclopentylmethyl)-4-hydroxy-3-phenyl-1H-pyridin-2-one;6-(cyclopropylmethyl)-4-hydroxy-3-phenyl-1H-pyridin-2-one
PubChem CID159606681
Molecular FormulaC68H70N4O8
Molecular Weight1071.33 g/mol
Exact Mass1070.52
IUPAC Name6-benzyl-4-hydroxy-3-phenyl-1H-pyridin-2-one;6-(cyclohexylmethyl)-4-hydroxy-3-phenyl-1H-pyridin-2-one;6-(cyclopentylmethyl)-4-hydroxy-3-phenyl-1H-pyridin-2-one;6-(cyclopropylmethyl)-4-hydroxy-3-phenyl-1H-pyridin-2-one
SMILESO=c1[nH]c(CC2CC2)cc(O)c1-c1ccccc1.O=c1[nH]c(CC2CCCC2)cc(O)c1-c1ccccc1.O=c1[nH]c(CC2CCCCC2)cc(O)c1-c1ccccc1.O=c1[nH]c(Cc2ccccc2)cc(O)c1-c1ccccc1
InChIInChI=1S/C18H21NO2.C18H15NO2.C17H19NO2.C15H15NO2/c2*20-16-12-15(11-13-7-3-1-4-8-13)19-18(21)17(16)14-9-5-2-6-10-14;19-15-11-14(10-12-6-4-5-7-12)18-17(20)16(15)13-8-2-1-3-9-13;17-13-9-12(8-10-6-7-10)16-15(18)14(13)11-4-2-1-3-5-11/h2,5-6,9-10,12-13H,1,3-4,7-8,11H2,(H2,19,20,21);1-10,12H,11H2,(H2,19,20,21);1-3,8-9,11-12H,4-7,10H2,(H2,18,19,20);1-5,9-10H,6-8H2,(H2,16,17,18)
InChIKeyMMDYHMOOMIDMAJ-UHFFFAOYSA-N
XLogP13.39
TPSA212.36 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001071.33
LogP ≤ 513.39
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Analyze 6-benzyl-4-hydroxy-3-phenyl-1H-pyridin-2-one;6-(cyclohexylmethyl)-4-hydroxy-3-phenyl-1H-pyridin-2-one;6-(cyclopentylmethyl)-4-hydroxy-3-phenyl-1H-pyridin-2-one;6-(cyclopropylmethyl)-4-hydroxy-3-phenyl-1H-pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-4-hydroxy-3-phenyl-1H-pyridin-2-one;6-(cyclohexylmethyl)-4-hydroxy-3-phenyl-1H-pyridin-2-one;6-(cyclopentylmethyl)-4-hydroxy-3-phenyl-1H-pyridin-2-one;6-(cyclopropylmethyl)-4-hydroxy-3-phenyl-1H-pyridin-2-one?
The IUPAC name of 6-benzyl-4-hydroxy-3-phenyl-1H-pyridin-2-one;6-(cyclohexylmethyl)-4-hydroxy-3-phenyl-1H-pyridin-2-one;6-(cyclopentylmethyl)-4-hydroxy-3-phenyl-1H-pyridin-2-one;6-(cyclopropylmethyl)-4-hydroxy-3-phenyl-1H-pyridin-2-one (CID 159606681) is 6-benzyl-4-hydroxy-3-phenyl-1H-pyridin-2-one;6-(cyclohexylmethyl)-4-hydroxy-3-phenyl-1H-pyridin-2-one;6-(cyclopentylmethyl)-4-hydroxy-3-phenyl-1H-pyridin-2-one;6-(cyclopropylmethyl)-4-hydroxy-3-phenyl-1H-pyridin-2-one.
What is the SMILES notation for 6-benzyl-4-hydroxy-3-phenyl-1H-pyridin-2-one;6-(cyclohexylmethyl)-4-hydroxy-3-phenyl-1H-pyridin-2-one;6-(cyclopentylmethyl)-4-hydroxy-3-phenyl-1H-pyridin-2-one;6-(cyclopropylmethyl)-4-hydroxy-3-phenyl-1H-pyridin-2-one?
The canonical SMILES for 6-benzyl-4-hydroxy-3-phenyl-1H-pyridin-2-one;6-(cyclohexylmethyl)-4-hydroxy-3-phenyl-1H-pyridin-2-one;6-(cyclopentylmethyl)-4-hydroxy-3-phenyl-1H-pyridin-2-one;6-(cyclopropylmethyl)-4-hydroxy-3-phenyl-1H-pyridin-2-one is O=c1[nH]c(CC2CC2)cc(O)c1-c1ccccc1.O=c1[nH]c(CC2CCCC2)cc(O)c1-c1ccccc1.O=c1[nH]c(CC2CCCCC2)cc(O)c1-c1ccccc1.O=c1[nH]c(Cc2ccccc2)cc(O)c1-c1ccccc1.
What is the InChIKey of 6-benzyl-4-hydroxy-3-phenyl-1H-pyridin-2-one;6-(cyclohexylmethyl)-4-hydroxy-3-phenyl-1H-pyridin-2-one;6-(cyclopentylmethyl)-4-hydroxy-3-phenyl-1H-pyridin-2-one;6-(cyclopropylmethyl)-4-hydroxy-3-phenyl-1H-pyridin-2-one?
The InChIKey is MMDYHMOOMIDMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2.C18H15NO2.C17H19NO2.C15H15NO2/c2*20-16-12-15(11-13-7-3-1-4-8-13)19-18(21)17(16)14-9-5-2-6-10-14;19-15-11-14(10-12-6-4-5-7-12)18-17(20)16(15)13-8-2-1-3-9-13;17-13-9-12(8-10-6-7-10)16-15(18)14(13)11-4-2-1-3-5-11/h2,5-6,9-10,12-13H,1,3-4,7-8,11H2,(H2,19,20,21);1-10,12H,11H2,(H2,19,20,21);1-3,8-9,11-12H,4-7,10H2,(H2,18,19,20);1-5,9-10H,6-8H2,(H2,16,17,18).
What are the key properties of 6-benzyl-4-hydroxy-3-phenyl-1H-pyridin-2-one;6-(cyclohexylmethyl)-4-hydroxy-3-phenyl-1H-pyridin-2-one;6-(cyclopentylmethyl)-4-hydroxy-3-phenyl-1H-pyridin-2-one;6-(cyclopropylmethyl)-4-hydroxy-3-phenyl-1H-pyridin-2-one?
6-benzyl-4-hydroxy-3-phenyl-1H-pyridin-2-one;6-(cyclohexylmethyl)-4-hydroxy-3-phenyl-1H-pyridin-2-one;6-(cyclopentylmethyl)-4-hydroxy-3-phenyl-1H-pyridin-2-one;6-(cyclopropylmethyl)-4-hydroxy-3-phenyl-1H-pyridin-2-one has a molecular weight of 1071.33 g/mol, XLogP of 13.39, 12 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-4-hydroxy-3-phenyl-1H-pyridin-2-one;6-(cyclohexylmethyl)-4-hydroxy-3-phenyl-1H-pyridin-2-one;6-(cyclopentylmethyl)-4-hydroxy-3-phenyl-1H-pyridin-2-one;6-(cyclopropylmethyl)-4-hydroxy-3-phenyl-1H-pyridin-2-one is sourced from PubChem (CID 159606681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).