2-(3-benzoylphenyl)-4-methylpentan-3-one;2-(5-benzoylthiophen-2-yl)-4-methylpentan-3-one;2-(6-chloro-9H-fluoren-2-yl)-4-methylpentan-3-one;2-(5H-chromeno[2,3-b]pyridin-7-yl)-4-methylpentan-3-one;2-methyl-4-[4-(2-methylpropyl)phenyl]pentan-3-one;2-[4-(4-methyl-3-oxopentan-2-yl)phenyl]-3H-isoindol-1-one;2-[[4-(4-methyl-3-oxopentan-2-yl)phenyl]methyl]cyclopentan-1-one;2-methyl-4-(3-phenoxyphenyl)pentan-3-one

C145H165ClN2O14S — CID 160788802

IUPAC2-(3-benzoylphenyl)-4-methylpentan-3-one;2-(5-benzoylthiophen-2-yl)-4-methylpentan-3-one;2-(6-chloro-9H-fluoren-2-yl)-4-methylpentan-3-one;2-(5H-chromeno[2,3-b]pyridin-7-yl)-4-methylpentan-3-one;2-methyl-4-[4-(2-methylpropyl)phenyl]pentan-3-one;2-[4-(4-methyl-3-oxopentan-2-yl)phenyl]-3H-isoindol-1-one;2-[[4-(4-methyl-3-oxopentan-2-yl)phenyl]methyl]cyclopentan-1-one;2-methyl-4-(3-phenoxyphenyl)pentan-3-one
SMILESCC(C)C(=O)C(C)c1ccc(C(=O)c2ccccc2)s1.CC(C)C(=O)C(C)c1ccc(CC2CCCC2=O)cc1.CC(C)C(=O)C(C)c1ccc(N2Cc3ccccc3C2=O)cc1.CC(C)C(=O)C(C)c1ccc2c(c1)Cc1ccc(Cl)cc1-2.CC(C)C(=O)C(C)c1ccc2c(c1)Cc1cccnc1O2.CC(C)C(=O)C(C)c1cccc(C(=O)c2ccccc2)c1.CC(C)C(=O)C(C)c1cccc(Oc2ccccc2)c1.CC(C)Cc1ccc(C(C)C(=O)C(C)C)cc1
InChIInChI=1S/C20H21NO2.C19H19ClO.C19H20O2.C18H19NO2.C18H24O2.C18H20O2.C17H18O2S.C16H24O/c1-13(2)19(22)14(3)15-8-10-17(11-9-15)21-12-16-6-4-5-7-18(16)20(21)23;1-11(2)19(21)12(3)13-5-7-17-15(8-13)9-14-4-6-16(20)10-18(14)17;1-13(2)18(20)14(3)16-10-7-11-17(12-16)19(21)15-8-5-4-6-9-15;1-11(2)17(20)12(3)13-6-7-16-15(9-13)10-14-5-4-8-19-18(14)21-16;1-12(2)18(20)13(3)15-9-7-14(8-10-15)11-16-5-4-6-17(16)19;1-13(2)18(19)14(3)15-8-7-11-17(12-15)20-16-9-5-4-6-10-16;1-11(2)16(18)12(3)14-9-10-15(20-14)17(19)13-7-5-4-6-8-13;1-11(2)10-14-6-8-15(9-7-14)13(5)16(17)12(3)4/h4-11,13-14H,12H2,1-3H3;4-8,10-12H,9H2,1-3H3;4-14H,1-3H3;4-9,11-12H,10H2,1-3H3;7-10,12-13,16H,4-6,11H2,1-3H3;4-14H,1-3H3;4-12H,1-3H3;6-9,11-13H,10H2,1-5H3
InChIKeySBOLDFAPVHZQDW-UHFFFAOYSA-N
MW2227.43 g/mol
LogP35.02
Rot. Bonds35

About 2-(3-benzoylphenyl)-4-methylpentan-3-one;2-(5-benzoylthiophen-2-yl)-4-methylpentan-3-one;2-(6-chloro-9H-fluoren-2-yl)-4-methylpentan-3-one;2-(5H-chromeno[2,3-b]pyridin-7-yl)-4-methylpentan-3-one;2-methyl-4-[4-(2-methylpropyl)phenyl]pentan-3-one;2-[4-(4-methyl-3-oxopentan-2-yl)phenyl]-3H-isoindol-1-one;2-[[4-(4-methyl-3-oxopentan-2-yl)phenyl]methyl]cyclopentan-1-one;2-methyl-4-(3-phenoxyphenyl)pentan-3-one

2-(3-benzoylphenyl)-4-methylpentan-3-one;2-(5-benzoylthiophen-2-yl)-4-methylpentan-3-one;2-(6-chloro-9H-fluoren-2-yl)-4-methylpentan-3-one;2-(5H-chromeno[2,3-b]pyridin-7-yl)-4-methylpentan-3-one;2-methyl-4-[4-(2-methylpropyl)phenyl]pentan-3-one;2-[4-(4-methyl-3-oxopentan-2-yl)phenyl]-3H-isoindol-1-one;2-[[4-(4-methyl-3-oxopentan-2-yl)phenyl]methyl]cyclopentan-1-one;2-methyl-4-(3-phenoxyphenyl)pentan-3-one (PubChem CID 160788802) has the molecular formula C145H165ClN2O14S and a molecular weight of 2227.43 g/mol. Its IUPAC name is 2-(3-benzoylphenyl)-4-methylpentan-3-one;2-(5-benzoylthiophen-2-yl)-4-methylpentan-3-one;2-(6-chloro-9H-fluoren-2-yl)-4-methylpentan-3-one;2-(5H-chromeno[2,3-b]pyridin-7-yl)-4-methylpentan-3-one;2-methyl-4-[4-(2-methylpropyl)phenyl]pentan-3-one;2-[4-(4-methyl-3-oxopentan-2-yl)phenyl]-3H-isoindol-1-one;2-[[4-(4-methyl-3-oxopentan-2-yl)phenyl]methyl]cyclopentan-1-one;2-methyl-4-(3-phenoxyphenyl)pentan-3-one.

Molecular Properties

Compound Name2-(3-benzoylphenyl)-4-methylpentan-3-one;2-(5-benzoylthiophen-2-yl)-4-methylpentan-3-one;2-(6-chloro-9H-fluoren-2-yl)-4-methylpentan-3-one;2-(5H-chromeno[2,3-b]pyridin-7-yl)-4-methylpentan-3-one;2-methyl-4-[4-(2-methylpropyl)phenyl]pentan-3-one;2-[4-(4-methyl-3-oxopentan-2-yl)phenyl]-3H-isoindol-1-one;2-[[4-(4-methyl-3-oxopentan-2-yl)phenyl]methyl]cyclopentan-1-one;2-methyl-4-(3-phenoxyphenyl)pentan-3-one
PubChem CID160788802
Molecular FormulaC145H165ClN2O14S
Molecular Weight2227.43 g/mol
Exact Mass2225.17
IUPAC Name2-(3-benzoylphenyl)-4-methylpentan-3-one;2-(5-benzoylthiophen-2-yl)-4-methylpentan-3-one;2-(6-chloro-9H-fluoren-2-yl)-4-methylpentan-3-one;2-(5H-chromeno[2,3-b]pyridin-7-yl)-4-methylpentan-3-one;2-methyl-4-[4-(2-methylpropyl)phenyl]pentan-3-one;2-[4-(4-methyl-3-oxopentan-2-yl)phenyl]-3H-isoindol-1-one;2-[[4-(4-methyl-3-oxopentan-2-yl)phenyl]methyl]cyclopentan-1-one;2-methyl-4-(3-phenoxyphenyl)pentan-3-one
SMILESCC(C)C(=O)C(C)c1ccc(C(=O)c2ccccc2)s1.CC(C)C(=O)C(C)c1ccc(CC2CCCC2=O)cc1.CC(C)C(=O)C(C)c1ccc(N2Cc3ccccc3C2=O)cc1.CC(C)C(=O)C(C)c1ccc2c(c1)Cc1ccc(Cl)cc1-2.CC(C)C(=O)C(C)c1ccc2c(c1)Cc1cccnc1O2.CC(C)C(=O)C(C)c1cccc(C(=O)c2ccccc2)c1.CC(C)C(=O)C(C)c1cccc(Oc2ccccc2)c1.CC(C)Cc1ccc(C(C)C(=O)C(C)C)cc1
InChIInChI=1S/C20H21NO2.C19H19ClO.C19H20O2.C18H19NO2.C18H24O2.C18H20O2.C17H18O2S.C16H24O/c1-13(2)19(22)14(3)15-8-10-17(11-9-15)21-12-16-6-4-5-7-18(16)20(21)23;1-11(2)19(21)12(3)13-5-7-17-15(8-13)9-14-4-6-16(20)10-18(14)17;1-13(2)18(20)14(3)16-10-7-11-17(12-16)19(21)15-8-5-4-6-9-15;1-11(2)17(20)12(3)13-6-7-16-15(9-13)10-14-5-4-8-19-18(14)21-16;1-12(2)18(20)13(3)15-9-7-14(8-10-15)11-16-5-4-6-17(16)19;1-13(2)18(19)14(3)15-8-7-11-17(12-15)20-16-9-5-4-6-10-16;1-11(2)16(18)12(3)14-9-10-15(20-14)17(19)13-7-5-4-6-8-13;1-11(2)10-14-6-8-15(9-7-14)13(5)16(17)12(3)4/h4-11,13-14H,12H2,1-3H3;4-8,10-12H,9H2,1-3H3;4-14H,1-3H3;4-9,11-12H,10H2,1-3H3;7-10,12-13,16H,4-6,11H2,1-3H3;4-14H,1-3H3;4-12H,1-3H3;6-9,11-13H,10H2,1-5H3
InChIKeySBOLDFAPVHZQDW-UHFFFAOYSA-N
XLogP35.02
TPSA239.43 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds35
Heavy Atoms163
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002227.43
LogP ≤ 535.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 2-(3-benzoylphenyl)-4-methylpentan-3-one;2-(5-benzoylthiophen-2-yl)-4-methylpentan-3-one;2-(6-chloro-9H-fluoren-2-yl)-4-methylpentan-3-one;2-(5H-chromeno[2,3-b]pyridin-7-yl)-4-methylpentan-3-one;2-methyl-4-[4-(2-methylpropyl)phenyl]pentan-3-one;2-[4-(4-methyl-3-oxopentan-2-yl)phenyl]-3H-isoindol-1-one;2-[[4-(4-methyl-3-oxopentan-2-yl)phenyl]methyl]cyclopentan-1-one;2-methyl-4-(3-phenoxyphenyl)pentan-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(3-benzoylphenyl)-4-methylpentan-3-one;2-(5-benzoylthiophen-2-yl)-4-methylpentan-3-one;2-(6-chloro-9H-fluoren-2-yl)-4-methylpentan-3-one;2-(5H-chromeno[2,3-b]pyridin-7-yl)-4-methylpentan-3-one;2-methyl-4-[4-(2-methylpropyl)phenyl]pentan-3-one;2-[4-(4-methyl-3-oxopentan-2-yl)phenyl]-3H-isoindol-1-one;2-[[4-(4-methyl-3-oxopentan-2-yl)phenyl]methyl]cyclopentan-1-one;2-methyl-4-(3-phenoxyphenyl)pentan-3-one?
The IUPAC name of 2-(3-benzoylphenyl)-4-methylpentan-3-one;2-(5-benzoylthiophen-2-yl)-4-methylpentan-3-one;2-(6-chloro-9H-fluoren-2-yl)-4-methylpentan-3-one;2-(5H-chromeno[2,3-b]pyridin-7-yl)-4-methylpentan-3-one;2-methyl-4-[4-(2-methylpropyl)phenyl]pentan-3-one;2-[4-(4-methyl-3-oxopentan-2-yl)phenyl]-3H-isoindol-1-one;2-[[4-(4-methyl-3-oxopentan-2-yl)phenyl]methyl]cyclopentan-1-one;2-methyl-4-(3-phenoxyphenyl)pentan-3-one (CID 160788802) is 2-(3-benzoylphenyl)-4-methylpentan-3-one;2-(5-benzoylthiophen-2-yl)-4-methylpentan-3-one;2-(6-chloro-9H-fluoren-2-yl)-4-methylpentan-3-one;2-(5H-chromeno[2,3-b]pyridin-7-yl)-4-methylpentan-3-one;2-methyl-4-[4-(2-methylpropyl)phenyl]pentan-3-one;2-[4-(4-methyl-3-oxopentan-2-yl)phenyl]-3H-isoindol-1-one;2-[[4-(4-methyl-3-oxopentan-2-yl)phenyl]methyl]cyclopentan-1-one;2-methyl-4-(3-phenoxyphenyl)pentan-3-one.
What is the SMILES notation for 2-(3-benzoylphenyl)-4-methylpentan-3-one;2-(5-benzoylthiophen-2-yl)-4-methylpentan-3-one;2-(6-chloro-9H-fluoren-2-yl)-4-methylpentan-3-one;2-(5H-chromeno[2,3-b]pyridin-7-yl)-4-methylpentan-3-one;2-methyl-4-[4-(2-methylpropyl)phenyl]pentan-3-one;2-[4-(4-methyl-3-oxopentan-2-yl)phenyl]-3H-isoindol-1-one;2-[[4-(4-methyl-3-oxopentan-2-yl)phenyl]methyl]cyclopentan-1-one;2-methyl-4-(3-phenoxyphenyl)pentan-3-one?
The canonical SMILES for 2-(3-benzoylphenyl)-4-methylpentan-3-one;2-(5-benzoylthiophen-2-yl)-4-methylpentan-3-one;2-(6-chloro-9H-fluoren-2-yl)-4-methylpentan-3-one;2-(5H-chromeno[2,3-b]pyridin-7-yl)-4-methylpentan-3-one;2-methyl-4-[4-(2-methylpropyl)phenyl]pentan-3-one;2-[4-(4-methyl-3-oxopentan-2-yl)phenyl]-3H-isoindol-1-one;2-[[4-(4-methyl-3-oxopentan-2-yl)phenyl]methyl]cyclopentan-1-one;2-methyl-4-(3-phenoxyphenyl)pentan-3-one is CC(C)C(=O)C(C)c1ccc(C(=O)c2ccccc2)s1.CC(C)C(=O)C(C)c1ccc(CC2CCCC2=O)cc1.CC(C)C(=O)C(C)c1ccc(N2Cc3ccccc3C2=O)cc1.CC(C)C(=O)C(C)c1ccc2c(c1)Cc1ccc(Cl)cc1-2.CC(C)C(=O)C(C)c1ccc2c(c1)Cc1cccnc1O2.CC(C)C(=O)C(C)c1cccc(C(=O)c2ccccc2)c1.CC(C)C(=O)C(C)c1cccc(Oc2ccccc2)c1.CC(C)Cc1ccc(C(C)C(=O)C(C)C)cc1.
What is the InChIKey of 2-(3-benzoylphenyl)-4-methylpentan-3-one;2-(5-benzoylthiophen-2-yl)-4-methylpentan-3-one;2-(6-chloro-9H-fluoren-2-yl)-4-methylpentan-3-one;2-(5H-chromeno[2,3-b]pyridin-7-yl)-4-methylpentan-3-one;2-methyl-4-[4-(2-methylpropyl)phenyl]pentan-3-one;2-[4-(4-methyl-3-oxopentan-2-yl)phenyl]-3H-isoindol-1-one;2-[[4-(4-methyl-3-oxopentan-2-yl)phenyl]methyl]cyclopentan-1-one;2-methyl-4-(3-phenoxyphenyl)pentan-3-one?
The InChIKey is SBOLDFAPVHZQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2.C19H19ClO.C19H20O2.C18H19NO2.C18H24O2.C18H20O2.C17H18O2S.C16H24O/c1-13(2)19(22)14(3)15-8-10-17(11-9-15)21-12-16-6-4-5-7-18(16)20(21)23;1-11(2)19(21)12(3)13-5-7-17-15(8-13)9-14-4-6-16(20)10-18(14)17;1-13(2)18(20)14(3)16-10-7-11-17(12-16)19(21)15-8-5-4-6-9-15;1-11(2)17(20)12(3)13-6-7-16-15(9-13)10-14-5-4-8-19-18(14)21-16;1-12(2)18(20)13(3)15-9-7-14(8-10-15)11-16-5-4-6-17(16)19;1-13(2)18(19)14(3)15-8-7-11-17(12-15)20-16-9-5-4-6-10-16;1-11(2)16(18)12(3)14-9-10-15(20-14)17(19)13-7-5-4-6-8-13;1-11(2)10-14-6-8-15(9-7-14)13(5)16(17)12(3)4/h4-11,13-14H,12H2,1-3H3;4-8,10-12H,9H2,1-3H3;4-14H,1-3H3;4-9,11-12H,10H2,1-3H3;7-10,12-13,16H,4-6,11H2,1-3H3;4-14H,1-3H3;4-12H,1-3H3;6-9,11-13H,10H2,1-5H3.
What are the key properties of 2-(3-benzoylphenyl)-4-methylpentan-3-one;2-(5-benzoylthiophen-2-yl)-4-methylpentan-3-one;2-(6-chloro-9H-fluoren-2-yl)-4-methylpentan-3-one;2-(5H-chromeno[2,3-b]pyridin-7-yl)-4-methylpentan-3-one;2-methyl-4-[4-(2-methylpropyl)phenyl]pentan-3-one;2-[4-(4-methyl-3-oxopentan-2-yl)phenyl]-3H-isoindol-1-one;2-[[4-(4-methyl-3-oxopentan-2-yl)phenyl]methyl]cyclopentan-1-one;2-methyl-4-(3-phenoxyphenyl)pentan-3-one?
2-(3-benzoylphenyl)-4-methylpentan-3-one;2-(5-benzoylthiophen-2-yl)-4-methylpentan-3-one;2-(6-chloro-9H-fluoren-2-yl)-4-methylpentan-3-one;2-(5H-chromeno[2,3-b]pyridin-7-yl)-4-methylpentan-3-one;2-methyl-4-[4-(2-methylpropyl)phenyl]pentan-3-one;2-[4-(4-methyl-3-oxopentan-2-yl)phenyl]-3H-isoindol-1-one;2-[[4-(4-methyl-3-oxopentan-2-yl)phenyl]methyl]cyclopentan-1-one;2-methyl-4-(3-phenoxyphenyl)pentan-3-one has a molecular weight of 2227.43 g/mol, XLogP of 35.02, 35 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzoylphenyl)-4-methylpentan-3-one;2-(5-benzoylthiophen-2-yl)-4-methylpentan-3-one;2-(6-chloro-9H-fluoren-2-yl)-4-methylpentan-3-one;2-(5H-chromeno[2,3-b]pyridin-7-yl)-4-methylpentan-3-one;2-methyl-4-[4-(2-methylpropyl)phenyl]pentan-3-one;2-[4-(4-methyl-3-oxopentan-2-yl)phenyl]-3H-isoindol-1-one;2-[[4-(4-methyl-3-oxopentan-2-yl)phenyl]methyl]cyclopentan-1-one;2-methyl-4-(3-phenoxyphenyl)pentan-3-one is sourced from PubChem (CID 160788802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).