bis(1-(2-chlorophenyl)-3-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]propan-2-one);1-(2-chlorophenyl)-3-(4-pyridin-4-ylphenyl)propan-2-one;1-[3-(difluoromethoxy)phenyl]-3-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]propan-2-one;1-[3-fluoro-4-(1,3-oxazol-5-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]-3-(2-methoxyphenyl)propan-2-one;1-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]-3-phenylpropan-2-one

C146H124Cl3F6N7O15 — CID 161214006

IUPACbis(1-(2-chlorophenyl)-3-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]propan-2-one);1-(2-chlorophenyl)-3-(4-pyridin-4-ylphenyl)propan-2-one;1-[3-(difluoromethoxy)phenyl]-3-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]propan-2-one;1-[3-fluoro-4-(1,3-oxazol-5-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]-3-(2-methoxyphenyl)propan-2-one;1-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]-3-phenylpropan-2-one
SMILESCOc1ccccc1CC(=O)Cc1ccc(-c2ccncc2)c(CO)c1.O=C(Cc1ccc(-c2ccncc2)c(CO)c1)Cc1ccccc1Cl.O=C(Cc1ccc(-c2ccncc2)c(CO)c1)Cc1ccccc1Cl.O=C(Cc1ccc(-c2ccncc2)cc1)Cc1ccccc1Cl.O=C(Cc1ccc(-c2cnco2)c(F)c1)Cc1ccccc1C(F)(F)F.O=C(Cc1cccc(OC(F)F)c1)Cc1ccc(-c2ccncc2)c(CO)c1.O=C(Cc1ccccc1)Cc1ccc(-c2ccncc2)c(CO)c1
InChIInChI=1S/C22H19F2NO3.C22H21NO3.2C21H18ClNO2.C21H19NO2.C20H16ClNO.C19H13F4NO2/c23-22(24)28-20-3-1-2-15(13-20)11-19(27)12-16-4-5-21(18(10-16)14-26)17-6-8-25-9-7-17;1-26-22-5-3-2-4-18(22)14-20(25)13-16-6-7-21(19(12-16)15-24)17-8-10-23-11-9-17;2*22-21-4-2-1-3-17(21)13-19(25)12-15-5-6-20(18(11-15)14-24)16-7-9-23-10-8-16;23-15-19-12-17(6-7-21(19)18-8-10-22-11-9-18)14-20(24)13-16-4-2-1-3-5-16;21-20-4-2-1-3-18(20)14-19(23)13-15-5-7-16(8-6-15)17-9-11-22-12-10-17;20-17-8-12(5-6-15(17)18-10-24-11-26-18)7-14(25)9-13-3-1-2-4-16(13)19(21,22)23/h1-10,13,22,26H,11-12,14H2;2-12,24H,13-15H2,1H3;2*1-11,24H,12-14H2;1-12,23H,13-15H2;1-12H,13-14H2;1-6,8,10-11H,7,9H2
InChIKeyUWPQDTBNQBMUKP-UHFFFAOYSA-N
MW2436.98 g/mol
LogP29.50
Rot. Bonds43

About bis(1-(2-chlorophenyl)-3-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]propan-2-one);1-(2-chlorophenyl)-3-(4-pyridin-4-ylphenyl)propan-2-one;1-[3-(difluoromethoxy)phenyl]-3-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]propan-2-one;1-[3-fluoro-4-(1,3-oxazol-5-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]-3-(2-methoxyphenyl)propan-2-one;1-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]-3-phenylpropan-2-one

bis(1-(2-chlorophenyl)-3-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]propan-2-one);1-(2-chlorophenyl)-3-(4-pyridin-4-ylphenyl)propan-2-one;1-[3-(difluoromethoxy)phenyl]-3-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]propan-2-one;1-[3-fluoro-4-(1,3-oxazol-5-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]-3-(2-methoxyphenyl)propan-2-one;1-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]-3-phenylpropan-2-one (PubChem CID 161214006) has the molecular formula C146H124Cl3F6N7O15 and a molecular weight of 2436.98 g/mol. Its IUPAC name is bis(1-(2-chlorophenyl)-3-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]propan-2-one);1-(2-chlorophenyl)-3-(4-pyridin-4-ylphenyl)propan-2-one;1-[3-(difluoromethoxy)phenyl]-3-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]propan-2-one;1-[3-fluoro-4-(1,3-oxazol-5-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]-3-(2-methoxyphenyl)propan-2-one;1-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]-3-phenylpropan-2-one.

Molecular Properties

Compound Namebis(1-(2-chlorophenyl)-3-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]propan-2-one);1-(2-chlorophenyl)-3-(4-pyridin-4-ylphenyl)propan-2-one;1-[3-(difluoromethoxy)phenyl]-3-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]propan-2-one;1-[3-fluoro-4-(1,3-oxazol-5-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]-3-(2-methoxyphenyl)propan-2-one;1-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]-3-phenylpropan-2-one
PubChem CID161214006
Molecular FormulaC146H124Cl3F6N7O15
Molecular Weight2436.98 g/mol
Exact Mass2433.81
IUPAC Namebis(1-(2-chlorophenyl)-3-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]propan-2-one);1-(2-chlorophenyl)-3-(4-pyridin-4-ylphenyl)propan-2-one;1-[3-(difluoromethoxy)phenyl]-3-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]propan-2-one;1-[3-fluoro-4-(1,3-oxazol-5-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]-3-(2-methoxyphenyl)propan-2-one;1-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]-3-phenylpropan-2-one
SMILESCOc1ccccc1CC(=O)Cc1ccc(-c2ccncc2)c(CO)c1.O=C(Cc1ccc(-c2ccncc2)c(CO)c1)Cc1ccccc1Cl.O=C(Cc1ccc(-c2ccncc2)c(CO)c1)Cc1ccccc1Cl.O=C(Cc1ccc(-c2ccncc2)cc1)Cc1ccccc1Cl.O=C(Cc1ccc(-c2cnco2)c(F)c1)Cc1ccccc1C(F)(F)F.O=C(Cc1cccc(OC(F)F)c1)Cc1ccc(-c2ccncc2)c(CO)c1.O=C(Cc1ccccc1)Cc1ccc(-c2ccncc2)c(CO)c1
InChIInChI=1S/C22H19F2NO3.C22H21NO3.2C21H18ClNO2.C21H19NO2.C20H16ClNO.C19H13F4NO2/c23-22(24)28-20-3-1-2-15(13-20)11-19(27)12-16-4-5-21(18(10-16)14-26)17-6-8-25-9-7-17;1-26-22-5-3-2-4-18(22)14-20(25)13-16-6-7-21(19(12-16)15-24)17-8-10-23-11-9-17;2*22-21-4-2-1-3-17(21)13-19(25)12-15-5-6-20(18(11-15)14-24)16-7-9-23-10-8-16;23-15-19-12-17(6-7-21(19)18-8-10-22-11-9-18)14-20(24)13-16-4-2-1-3-5-16;21-20-4-2-1-3-18(20)14-19(23)13-15-5-7-16(8-6-15)17-9-11-22-12-10-17;20-17-8-12(5-6-15(17)18-10-24-11-26-18)7-14(25)9-13-3-1-2-4-16(13)19(21,22)23/h1-10,13,22,26H,11-12,14H2;2-12,24H,13-15H2,1H3;2*1-11,24H,12-14H2;1-12,23H,13-15H2;1-12H,13-14H2;1-6,8,10-11H,7,9H2
InChIKeyUWPQDTBNQBMUKP-UHFFFAOYSA-N
XLogP29.50
TPSA342.47 Ų
H-Bond Donors5
H-Bond Acceptors22
Rotatable Bonds43
Heavy Atoms177
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002436.98
LogP ≤ 529.50
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1022

Analyze bis(1-(2-chlorophenyl)-3-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]propan-2-one);1-(2-chlorophenyl)-3-(4-pyridin-4-ylphenyl)propan-2-one;1-[3-(difluoromethoxy)phenyl]-3-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]propan-2-one;1-[3-fluoro-4-(1,3-oxazol-5-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]-3-(2-methoxyphenyl)propan-2-one;1-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]-3-phenylpropan-2-one with MolForge

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Related Compounds

1-(2-chloro-5-fluorophenyl)-3-[3-fluoro-4-(1,3-oxazol-5-yl)phenyl]propan-2-one;1-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-3-[3-(difluoromethoxy)phenyl]propan-2-one;1-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-3-(2-methoxyphenyl)propan-2-one;1-[2-(difluoromethoxy)phenyl]-3-[3-fluoro-4-(1,3-oxazol-5-yl)phenyl]propan-2-one;1-[3-(difluoromethoxy)phenyl]-3-[3-fluoro-4-(1,3-oxazol-5-yl)phenyl]propan-2-one
CID 165041246
1-(3-bromophenyl)-3-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]propan-2-one;1-(2-chloro-5-fluorophenyl)-3-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]propan-2-one;1-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-3-(2,4-difluorophenyl)propan-2-one;1-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-3-(3-methoxyphenyl)propan-2-one;1-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one
CID 164979501
2-[3-(difluoromethoxy)phenyl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]acetamide;N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-2-[2-(trifluoromethyl)phenyl]acetamide
CID 90177419
2-(2-chlorophenyl)-N-[2-methoxy-4-(1,3-oxazol-5-yl)phenyl]acetamide
CID 90177371
1-(3-fluoro-4-methoxyphenyl)-3-pyridin-3-ylpropan-2-one
CID 62620103
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-5-[2-(trifluoromethyl)phenyl]pentane-2,4-dione
CID 58249411
N-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-2-(2-chlorophenyl)acetamide
CID 148839325
1-(2-fluoro-3-methoxyphenyl)-3-pyridin-3-ylpropan-2-one
CID 113453730
2-(3-chloro-4-fluorophenyl)-1-(3-methoxy-4-pyridinyl)ethanone
CID 103042865
1-(5-chloro-2-fluorophenyl)-3-(3-methoxyphenyl)propan-2-one
CID 103047948
5-(2-chlorophenyl)-N-[3-(hydroxymethyl)-4-methoxyphenyl]furan-2-carboxamide
CID 99703143
1-(3,4-dichlorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-one
CID 62622130

Frequently Asked Questions

What is the IUPAC name of bis(1-(2-chlorophenyl)-3-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]propan-2-one);1-(2-chlorophenyl)-3-(4-pyridin-4-ylphenyl)propan-2-one;1-[3-(difluoromethoxy)phenyl]-3-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]propan-2-one;1-[3-fluoro-4-(1,3-oxazol-5-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]-3-(2-methoxyphenyl)propan-2-one;1-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]-3-phenylpropan-2-one?
The IUPAC name of bis(1-(2-chlorophenyl)-3-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]propan-2-one);1-(2-chlorophenyl)-3-(4-pyridin-4-ylphenyl)propan-2-one;1-[3-(difluoromethoxy)phenyl]-3-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]propan-2-one;1-[3-fluoro-4-(1,3-oxazol-5-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]-3-(2-methoxyphenyl)propan-2-one;1-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]-3-phenylpropan-2-one (CID 161214006) is bis(1-(2-chlorophenyl)-3-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]propan-2-one);1-(2-chlorophenyl)-3-(4-pyridin-4-ylphenyl)propan-2-one;1-[3-(difluoromethoxy)phenyl]-3-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]propan-2-one;1-[3-fluoro-4-(1,3-oxazol-5-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]-3-(2-methoxyphenyl)propan-2-one;1-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]-3-phenylpropan-2-one.
What is the SMILES notation for bis(1-(2-chlorophenyl)-3-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]propan-2-one);1-(2-chlorophenyl)-3-(4-pyridin-4-ylphenyl)propan-2-one;1-[3-(difluoromethoxy)phenyl]-3-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]propan-2-one;1-[3-fluoro-4-(1,3-oxazol-5-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]-3-(2-methoxyphenyl)propan-2-one;1-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]-3-phenylpropan-2-one?
The canonical SMILES for bis(1-(2-chlorophenyl)-3-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]propan-2-one);1-(2-chlorophenyl)-3-(4-pyridin-4-ylphenyl)propan-2-one;1-[3-(difluoromethoxy)phenyl]-3-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]propan-2-one;1-[3-fluoro-4-(1,3-oxazol-5-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]-3-(2-methoxyphenyl)propan-2-one;1-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]-3-phenylpropan-2-one is COc1ccccc1CC(=O)Cc1ccc(-c2ccncc2)c(CO)c1.O=C(Cc1ccc(-c2ccncc2)c(CO)c1)Cc1ccccc1Cl.O=C(Cc1ccc(-c2ccncc2)c(CO)c1)Cc1ccccc1Cl.O=C(Cc1ccc(-c2ccncc2)cc1)Cc1ccccc1Cl.O=C(Cc1ccc(-c2cnco2)c(F)c1)Cc1ccccc1C(F)(F)F.O=C(Cc1cccc(OC(F)F)c1)Cc1ccc(-c2ccncc2)c(CO)c1.O=C(Cc1ccccc1)Cc1ccc(-c2ccncc2)c(CO)c1.
What is the InChIKey of bis(1-(2-chlorophenyl)-3-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]propan-2-one);1-(2-chlorophenyl)-3-(4-pyridin-4-ylphenyl)propan-2-one;1-[3-(difluoromethoxy)phenyl]-3-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]propan-2-one;1-[3-fluoro-4-(1,3-oxazol-5-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]-3-(2-methoxyphenyl)propan-2-one;1-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]-3-phenylpropan-2-one?
The InChIKey is UWPQDTBNQBMUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2NO3.C22H21NO3.2C21H18ClNO2.C21H19NO2.C20H16ClNO.C19H13F4NO2/c23-22(24)28-20-3-1-2-15(13-20)11-19(27)12-16-4-5-21(18(10-16)14-26)17-6-8-25-9-7-17;1-26-22-5-3-2-4-18(22)14-20(25)13-16-6-7-21(19(12-16)15-24)17-8-10-23-11-9-17;2*22-21-4-2-1-3-17(21)13-19(25)12-15-5-6-20(18(11-15)14-24)16-7-9-23-10-8-16;23-15-19-12-17(6-7-21(19)18-8-10-22-11-9-18)14-20(24)13-16-4-2-1-3-5-16;21-20-4-2-1-3-18(20)14-19(23)13-15-5-7-16(8-6-15)17-9-11-22-12-10-17;20-17-8-12(5-6-15(17)18-10-24-11-26-18)7-14(25)9-13-3-1-2-4-16(13)19(21,22)23/h1-10,13,22,26H,11-12,14H2;2-12,24H,13-15H2,1H3;2*1-11,24H,12-14H2;1-12,23H,13-15H2;1-12H,13-14H2;1-6,8,10-11H,7,9H2.
What are the key properties of bis(1-(2-chlorophenyl)-3-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]propan-2-one);1-(2-chlorophenyl)-3-(4-pyridin-4-ylphenyl)propan-2-one;1-[3-(difluoromethoxy)phenyl]-3-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]propan-2-one;1-[3-fluoro-4-(1,3-oxazol-5-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]-3-(2-methoxyphenyl)propan-2-one;1-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]-3-phenylpropan-2-one?
bis(1-(2-chlorophenyl)-3-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]propan-2-one);1-(2-chlorophenyl)-3-(4-pyridin-4-ylphenyl)propan-2-one;1-[3-(difluoromethoxy)phenyl]-3-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]propan-2-one;1-[3-fluoro-4-(1,3-oxazol-5-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]-3-(2-methoxyphenyl)propan-2-one;1-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]-3-phenylpropan-2-one has a molecular weight of 2436.98 g/mol, XLogP of 29.50, 43 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-(2-chlorophenyl)-3-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]propan-2-one);1-(2-chlorophenyl)-3-(4-pyridin-4-ylphenyl)propan-2-one;1-[3-(difluoromethoxy)phenyl]-3-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]propan-2-one;1-[3-fluoro-4-(1,3-oxazol-5-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]propan-2-one;1-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]-3-(2-methoxyphenyl)propan-2-one;1-[3-(hydroxymethyl)-4-pyridin-4-ylphenyl]-3-phenylpropan-2-one is sourced from PubChem (CID 161214006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).