2,4-bis(phenylmethoxy)benzoic acid;4-[(4-chlorophenyl)methoxy]-2-phenylmethoxybenzoic acid;3,5-dichloro-2-methyl-4-phenylmethoxybenzoic acid;2-methyl-4,6-bis(phenylmethoxy)benzoic acid;3-methyl-6-[3-(quinolin-2-ylmethoxy)phenyl]hexan-2-one;5-methyl-6-[3-(quinolin-2-ylmethoxy)phenyl]hexan-2-one

C125H117Cl3N2O19 — CID 157316357

IUPAC2,4-bis(phenylmethoxy)benzoic acid;4-[(4-chlorophenyl)methoxy]-2-phenylmethoxybenzoic acid;3,5-dichloro-2-methyl-4-phenylmethoxybenzoic acid;2-methyl-4,6-bis(phenylmethoxy)benzoic acid;3-methyl-6-[3-(quinolin-2-ylmethoxy)phenyl]hexan-2-one;5-methyl-6-[3-(quinolin-2-ylmethoxy)phenyl]hexan-2-one
SMILESCC(=O)C(C)CCCc1cccc(OCc2ccc3ccccc3n2)c1.CC(=O)CCC(C)Cc1cccc(OCc2ccc3ccccc3n2)c1.Cc1c(C(=O)O)cc(Cl)c(OCc2ccccc2)c1Cl.Cc1cc(OCc2ccccc2)cc(OCc2ccccc2)c1C(=O)O.O=C(O)c1ccc(OCc2ccc(Cl)cc2)cc1OCc1ccccc1.O=C(O)c1ccc(OCc2ccccc2)cc1OCc1ccccc1
InChIInChI=1S/2C23H25NO2.C22H20O4.C21H17ClO4.C21H18O4.C15H12Cl2O3/c1-17(18(2)25)7-5-8-19-9-6-11-22(15-19)26-16-21-14-13-20-10-3-4-12-23(20)24-21;1-17(10-11-18(2)25)14-19-6-5-8-22(15-19)26-16-21-13-12-20-7-3-4-9-23(20)24-21;1-16-12-19(25-14-17-8-4-2-5-9-17)13-20(21(16)22(23)24)26-15-18-10-6-3-7-11-18;22-17-8-6-16(7-9-17)13-25-18-10-11-19(21(23)24)20(12-18)26-14-15-4-2-1-3-5-15;22-21(23)19-12-11-18(24-14-16-7-3-1-4-8-16)13-20(19)25-15-17-9-5-2-6-10-17;1-9-11(15(18)19)7-12(16)14(13(9)17)20-8-10-5-3-2-4-6-10/h3-4,6,9-15,17H,5,7-8,16H2,1-2H3;3-9,12-13,15,17H,10-11,14,16H2,1-2H3;2-13H,14-15H2,1H3,(H,23,24);1-12H,13-14H2,(H,23,24);1-13H,14-15H2,(H,22,23);2-7H,8H2,1H3,(H,18,19)
InChIKeyBDQGKGYPGZOOAP-UHFFFAOYSA-N
MW2057.66 g/mol
LogP29.89
Rot. Bonds41

About 2,4-bis(phenylmethoxy)benzoic acid;4-[(4-chlorophenyl)methoxy]-2-phenylmethoxybenzoic acid;3,5-dichloro-2-methyl-4-phenylmethoxybenzoic acid;2-methyl-4,6-bis(phenylmethoxy)benzoic acid;3-methyl-6-[3-(quinolin-2-ylmethoxy)phenyl]hexan-2-one;5-methyl-6-[3-(quinolin-2-ylmethoxy)phenyl]hexan-2-one

2,4-bis(phenylmethoxy)benzoic acid;4-[(4-chlorophenyl)methoxy]-2-phenylmethoxybenzoic acid;3,5-dichloro-2-methyl-4-phenylmethoxybenzoic acid;2-methyl-4,6-bis(phenylmethoxy)benzoic acid;3-methyl-6-[3-(quinolin-2-ylmethoxy)phenyl]hexan-2-one;5-methyl-6-[3-(quinolin-2-ylmethoxy)phenyl]hexan-2-one (PubChem CID 157316357) has the molecular formula C125H117Cl3N2O19 and a molecular weight of 2057.66 g/mol. Its IUPAC name is 2,4-bis(phenylmethoxy)benzoic acid;4-[(4-chlorophenyl)methoxy]-2-phenylmethoxybenzoic acid;3,5-dichloro-2-methyl-4-phenylmethoxybenzoic acid;2-methyl-4,6-bis(phenylmethoxy)benzoic acid;3-methyl-6-[3-(quinolin-2-ylmethoxy)phenyl]hexan-2-one;5-methyl-6-[3-(quinolin-2-ylmethoxy)phenyl]hexan-2-one.

Molecular Properties

Compound Name2,4-bis(phenylmethoxy)benzoic acid;4-[(4-chlorophenyl)methoxy]-2-phenylmethoxybenzoic acid;3,5-dichloro-2-methyl-4-phenylmethoxybenzoic acid;2-methyl-4,6-bis(phenylmethoxy)benzoic acid;3-methyl-6-[3-(quinolin-2-ylmethoxy)phenyl]hexan-2-one;5-methyl-6-[3-(quinolin-2-ylmethoxy)phenyl]hexan-2-one
PubChem CID157316357
Molecular FormulaC125H117Cl3N2O19
Molecular Weight2057.66 g/mol
Exact Mass2054.73
IUPAC Name2,4-bis(phenylmethoxy)benzoic acid;4-[(4-chlorophenyl)methoxy]-2-phenylmethoxybenzoic acid;3,5-dichloro-2-methyl-4-phenylmethoxybenzoic acid;2-methyl-4,6-bis(phenylmethoxy)benzoic acid;3-methyl-6-[3-(quinolin-2-ylmethoxy)phenyl]hexan-2-one;5-methyl-6-[3-(quinolin-2-ylmethoxy)phenyl]hexan-2-one
SMILESCC(=O)C(C)CCCc1cccc(OCc2ccc3ccccc3n2)c1.CC(=O)CCC(C)Cc1cccc(OCc2ccc3ccccc3n2)c1.Cc1c(C(=O)O)cc(Cl)c(OCc2ccccc2)c1Cl.Cc1cc(OCc2ccccc2)cc(OCc2ccccc2)c1C(=O)O.O=C(O)c1ccc(OCc2ccc(Cl)cc2)cc1OCc1ccccc1.O=C(O)c1ccc(OCc2ccccc2)cc1OCc1ccccc1
InChIInChI=1S/2C23H25NO2.C22H20O4.C21H17ClO4.C21H18O4.C15H12Cl2O3/c1-17(18(2)25)7-5-8-19-9-6-11-22(15-19)26-16-21-14-13-20-10-3-4-12-23(20)24-21;1-17(10-11-18(2)25)14-19-6-5-8-22(15-19)26-16-21-13-12-20-7-3-4-9-23(20)24-21;1-16-12-19(25-14-17-8-4-2-5-9-17)13-20(21(16)22(23)24)26-15-18-10-6-3-7-11-18;22-17-8-6-16(7-9-17)13-25-18-10-11-19(21(23)24)20(12-18)26-14-15-4-2-1-3-5-15;22-21(23)19-12-11-18(24-14-16-7-3-1-4-8-16)13-20(19)25-15-17-9-5-2-6-10-17;1-9-11(15(18)19)7-12(16)14(13(9)17)20-8-10-5-3-2-4-6-10/h3-4,6,9-15,17H,5,7-8,16H2,1-2H3;3-9,12-13,15,17H,10-11,14,16H2,1-2H3;2-13H,14-15H2,1H3,(H,23,24);1-12H,13-14H2,(H,23,24);1-13H,14-15H2,(H,22,23);2-7H,8H2,1H3,(H,18,19)
InChIKeyBDQGKGYPGZOOAP-UHFFFAOYSA-N
XLogP29.89
TPSA292.19 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds41
Heavy Atoms149
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002057.66
LogP ≤ 529.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Analyze 2,4-bis(phenylmethoxy)benzoic acid;4-[(4-chlorophenyl)methoxy]-2-phenylmethoxybenzoic acid;3,5-dichloro-2-methyl-4-phenylmethoxybenzoic acid;2-methyl-4,6-bis(phenylmethoxy)benzoic acid;3-methyl-6-[3-(quinolin-2-ylmethoxy)phenyl]hexan-2-one;5-methyl-6-[3-(quinolin-2-ylmethoxy)phenyl]hexan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(phenylmethoxy)benzoic acid;4-[(4-chlorophenyl)methoxy]-2-phenylmethoxybenzoic acid;3,5-dichloro-2-methyl-4-phenylmethoxybenzoic acid;2-methyl-4,6-bis(phenylmethoxy)benzoic acid;3-methyl-6-[3-(quinolin-2-ylmethoxy)phenyl]hexan-2-one;5-methyl-6-[3-(quinolin-2-ylmethoxy)phenyl]hexan-2-one?
The IUPAC name of 2,4-bis(phenylmethoxy)benzoic acid;4-[(4-chlorophenyl)methoxy]-2-phenylmethoxybenzoic acid;3,5-dichloro-2-methyl-4-phenylmethoxybenzoic acid;2-methyl-4,6-bis(phenylmethoxy)benzoic acid;3-methyl-6-[3-(quinolin-2-ylmethoxy)phenyl]hexan-2-one;5-methyl-6-[3-(quinolin-2-ylmethoxy)phenyl]hexan-2-one (CID 157316357) is 2,4-bis(phenylmethoxy)benzoic acid;4-[(4-chlorophenyl)methoxy]-2-phenylmethoxybenzoic acid;3,5-dichloro-2-methyl-4-phenylmethoxybenzoic acid;2-methyl-4,6-bis(phenylmethoxy)benzoic acid;3-methyl-6-[3-(quinolin-2-ylmethoxy)phenyl]hexan-2-one;5-methyl-6-[3-(quinolin-2-ylmethoxy)phenyl]hexan-2-one.
What is the SMILES notation for 2,4-bis(phenylmethoxy)benzoic acid;4-[(4-chlorophenyl)methoxy]-2-phenylmethoxybenzoic acid;3,5-dichloro-2-methyl-4-phenylmethoxybenzoic acid;2-methyl-4,6-bis(phenylmethoxy)benzoic acid;3-methyl-6-[3-(quinolin-2-ylmethoxy)phenyl]hexan-2-one;5-methyl-6-[3-(quinolin-2-ylmethoxy)phenyl]hexan-2-one?
The canonical SMILES for 2,4-bis(phenylmethoxy)benzoic acid;4-[(4-chlorophenyl)methoxy]-2-phenylmethoxybenzoic acid;3,5-dichloro-2-methyl-4-phenylmethoxybenzoic acid;2-methyl-4,6-bis(phenylmethoxy)benzoic acid;3-methyl-6-[3-(quinolin-2-ylmethoxy)phenyl]hexan-2-one;5-methyl-6-[3-(quinolin-2-ylmethoxy)phenyl]hexan-2-one is CC(=O)C(C)CCCc1cccc(OCc2ccc3ccccc3n2)c1.CC(=O)CCC(C)Cc1cccc(OCc2ccc3ccccc3n2)c1.Cc1c(C(=O)O)cc(Cl)c(OCc2ccccc2)c1Cl.Cc1cc(OCc2ccccc2)cc(OCc2ccccc2)c1C(=O)O.O=C(O)c1ccc(OCc2ccc(Cl)cc2)cc1OCc1ccccc1.O=C(O)c1ccc(OCc2ccccc2)cc1OCc1ccccc1.
What is the InChIKey of 2,4-bis(phenylmethoxy)benzoic acid;4-[(4-chlorophenyl)methoxy]-2-phenylmethoxybenzoic acid;3,5-dichloro-2-methyl-4-phenylmethoxybenzoic acid;2-methyl-4,6-bis(phenylmethoxy)benzoic acid;3-methyl-6-[3-(quinolin-2-ylmethoxy)phenyl]hexan-2-one;5-methyl-6-[3-(quinolin-2-ylmethoxy)phenyl]hexan-2-one?
The InChIKey is BDQGKGYPGZOOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H25NO2.C22H20O4.C21H17ClO4.C21H18O4.C15H12Cl2O3/c1-17(18(2)25)7-5-8-19-9-6-11-22(15-19)26-16-21-14-13-20-10-3-4-12-23(20)24-21;1-17(10-11-18(2)25)14-19-6-5-8-22(15-19)26-16-21-13-12-20-7-3-4-9-23(20)24-21;1-16-12-19(25-14-17-8-4-2-5-9-17)13-20(21(16)22(23)24)26-15-18-10-6-3-7-11-18;22-17-8-6-16(7-9-17)13-25-18-10-11-19(21(23)24)20(12-18)26-14-15-4-2-1-3-5-15;22-21(23)19-12-11-18(24-14-16-7-3-1-4-8-16)13-20(19)25-15-17-9-5-2-6-10-17;1-9-11(15(18)19)7-12(16)14(13(9)17)20-8-10-5-3-2-4-6-10/h3-4,6,9-15,17H,5,7-8,16H2,1-2H3;3-9,12-13,15,17H,10-11,14,16H2,1-2H3;2-13H,14-15H2,1H3,(H,23,24);1-12H,13-14H2,(H,23,24);1-13H,14-15H2,(H,22,23);2-7H,8H2,1H3,(H,18,19).
What are the key properties of 2,4-bis(phenylmethoxy)benzoic acid;4-[(4-chlorophenyl)methoxy]-2-phenylmethoxybenzoic acid;3,5-dichloro-2-methyl-4-phenylmethoxybenzoic acid;2-methyl-4,6-bis(phenylmethoxy)benzoic acid;3-methyl-6-[3-(quinolin-2-ylmethoxy)phenyl]hexan-2-one;5-methyl-6-[3-(quinolin-2-ylmethoxy)phenyl]hexan-2-one?
2,4-bis(phenylmethoxy)benzoic acid;4-[(4-chlorophenyl)methoxy]-2-phenylmethoxybenzoic acid;3,5-dichloro-2-methyl-4-phenylmethoxybenzoic acid;2-methyl-4,6-bis(phenylmethoxy)benzoic acid;3-methyl-6-[3-(quinolin-2-ylmethoxy)phenyl]hexan-2-one;5-methyl-6-[3-(quinolin-2-ylmethoxy)phenyl]hexan-2-one has a molecular weight of 2057.66 g/mol, XLogP of 29.89, 41 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(phenylmethoxy)benzoic acid;4-[(4-chlorophenyl)methoxy]-2-phenylmethoxybenzoic acid;3,5-dichloro-2-methyl-4-phenylmethoxybenzoic acid;2-methyl-4,6-bis(phenylmethoxy)benzoic acid;3-methyl-6-[3-(quinolin-2-ylmethoxy)phenyl]hexan-2-one;5-methyl-6-[3-(quinolin-2-ylmethoxy)phenyl]hexan-2-one is sourced from PubChem (CID 157316357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).