2-[[3-[(2-chlorophenyl)methoxy]phenoxy]methyl]-6-methylbenzoic acid;2-[[3-[(4-chlorophenyl)methoxy]phenoxy]methyl]-6-methylbenzoic acid;methane;2-methyl-6-[[3-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenoxy]methyl]benzoic acid;2-methyl-6-[[3-[(3-methylquinoxalin-2-yl)methoxy]phenoxy]methyl]benzoic acid;2-methyl-6-[[3-(naphthalen-2-ylmethoxy)phenoxy]methyl]benzoic acid;2-methyl-6-[[3-[(5-phenyl-2-pyridinyl)methoxy]phenoxy]methyl]benzoic acid;2-[2-methyl-6-[[3-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenoxy]methyl]phenoxy]acetic acid;2-methyl-6-[[3-(quinolin-2-ylmethoxy)phenyl]sulfonylmethyl]benzoic acid;2-methyl-6-[[1-(quinolin-2-ylmethyl)imidazol-4-yl]methoxymethyl]benzoic acid;2-methyl-6-[[3-(quinolin-2-ylmethyl)imidazol-4-yl]methoxymethyl]benzoic acid

C254H253Cl2N13O41S2 — CID 159342416

IUPAC2-[[3-[(2-chlorophenyl)methoxy]phenoxy]methyl]-6-methylbenzoic acid;2-[[3-[(4-chlorophenyl)methoxy]phenoxy]methyl]-6-methylbenzoic acid;methane;2-methyl-6-[[3-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenoxy]methyl]benzoic acid;2-methyl-6-[[3-[(3-methylquinoxalin-2-yl)methoxy]phenoxy]methyl]benzoic acid;2-methyl-6-[[3-(naphthalen-2-ylmethoxy)phenoxy]methyl]benzoic acid;2-methyl-6-[[3-[(5-phenyl-2-pyridinyl)methoxy]phenoxy]methyl]benzoic acid;2-[2-methyl-6-[[3-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenoxy]methyl]phenoxy]acetic acid;2-methyl-6-[[3-(quinolin-2-ylmethoxy)phenyl]sulfonylmethyl]benzoic acid;2-methyl-6-[[1-(quinolin-2-ylmethyl)imidazol-4-yl]methoxymethyl]benzoic acid;2-methyl-6-[[3-(quinolin-2-ylmethyl)imidazol-4-yl]methoxymethyl]benzoic acid
SMILESC.C.C.C.C.C.C.C.C.C.Cc1cccc(COCc2cn(Cc3ccc4ccccc4n3)cn2)c1C(=O)O.Cc1cccc(COCc2cncn2Cc2ccc3ccccc3n2)c1C(=O)O.Cc1cccc(COc2cccc(OCc3ccc(-c4ccccc4)cn3)c2)c1C(=O)O.Cc1cccc(COc2cccc(OCc3ccc(Cl)cc3)c2)c1C(=O)O.Cc1cccc(COc2cccc(OCc3ccc4ccccc4c3)c2)c1C(=O)O.Cc1cccc(COc2cccc(OCc3ccccc3Cl)c2)c1C(=O)O.Cc1cccc(COc2cccc(OCc3csc(-c4ccccc4)n3)c2)c1OCC(=O)O.Cc1cccc(COc2cccc(OCc3nc4ccccc4c(=O)n3C)c2)c1C(=O)O.Cc1cccc(COc2cccc(OCc3nc4ccccc4nc3C)c2)c1C(=O)O.Cc1cccc(CS(=O)(=O)c2cccc(OCc3ccc4ccccc4n3)c2)c1C(=O)O
InChIInChI=1S/C27H23NO4.C26H23NO5S.C26H22O4.C25H22N2O5.C25H22N2O4.C25H21NO5S.2C23H21N3O3.2C22H19ClO4.10CH4/c1-19-7-5-10-22(26(19)27(29)30)17-31-24-11-6-12-25(15-24)32-18-23-14-13-21(16-28-23)20-8-3-2-4-9-20;1-18-7-5-10-20(25(18)32-16-24(28)29)14-30-22-11-6-12-23(13-22)31-15-21-17-33-26(27-21)19-8-3-2-4-9-19;1-18-6-4-9-22(25(18)26(27)28)17-30-24-11-5-10-23(15-24)29-16-19-12-13-20-7-2-3-8-21(20)14-19;1-16-7-5-8-17(23(16)25(29)30)14-31-18-9-6-10-19(13-18)32-15-22-26-21-12-4-3-11-20(21)24(28)27(22)2;1-16-7-5-8-18(24(16)25(28)29)14-30-19-9-6-10-20(13-19)31-15-23-17(2)26-21-11-3-4-12-22(21)27-23;1-17-6-4-8-19(24(17)25(27)28)16-32(29,30)22-10-5-9-21(14-22)31-15-20-13-12-18-7-2-3-11-23(18)26-20;1-16-5-4-7-18(22(16)23(27)28)13-29-14-20-11-24-15-26(20)12-19-10-9-17-6-2-3-8-21(17)25-19;1-16-5-4-7-18(22(16)23(27)28)13-29-14-20-12-26(15-24-20)11-19-10-9-17-6-2-3-8-21(17)25-19;1-15-4-2-5-17(21(15)22(24)25)14-27-20-7-3-6-19(12-20)26-13-16-8-10-18(23)11-9-16;1-15-6-4-8-17(21(15)22(24)25)14-27-19-10-5-9-18(12-19)26-13-16-7-2-3-11-20(16)23;;;;;;;;;;/h2-16H,17-18H2,1H3,(H,29,30);2-13,17H,14-16H2,1H3,(H,28,29);2-15H,16-17H2,1H3,(H,27,28);3-13H,14-15H2,1-2H3,(H,29,30);3-13H,14-15H2,1-2H3,(H,28,29);2-14H,15-16H2,1H3,(H,27,28);2-11,15H,12-14H2,1H3,(H,27,28);2-10,12,15H,11,13-14H2,1H3,(H,27,28);2*2-12H,13-14H2,1H3,(H,24,25);10*1H4
InChIKeyLGHIWWYHYIGRFI-UHFFFAOYSA-N
MW4278.91 g/mol
LogP57.43
Rot. Bonds74

About 2-[[3-[(2-chlorophenyl)methoxy]phenoxy]methyl]-6-methylbenzoic acid;2-[[3-[(4-chlorophenyl)methoxy]phenoxy]methyl]-6-methylbenzoic acid;methane;2-methyl-6-[[3-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenoxy]methyl]benzoic acid;2-methyl-6-[[3-[(3-methylquinoxalin-2-yl)methoxy]phenoxy]methyl]benzoic acid;2-methyl-6-[[3-(naphthalen-2-ylmethoxy)phenoxy]methyl]benzoic acid;2-methyl-6-[[3-[(5-phenyl-2-pyridinyl)methoxy]phenoxy]methyl]benzoic acid;2-[2-methyl-6-[[3-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenoxy]methyl]phenoxy]acetic acid;2-methyl-6-[[3-(quinolin-2-ylmethoxy)phenyl]sulfonylmethyl]benzoic acid;2-methyl-6-[[1-(quinolin-2-ylmethyl)imidazol-4-yl]methoxymethyl]benzoic acid;2-methyl-6-[[3-(quinolin-2-ylmethyl)imidazol-4-yl]methoxymethyl]benzoic acid

2-[[3-[(2-chlorophenyl)methoxy]phenoxy]methyl]-6-methylbenzoic acid;2-[[3-[(4-chlorophenyl)methoxy]phenoxy]methyl]-6-methylbenzoic acid;methane;2-methyl-6-[[3-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenoxy]methyl]benzoic acid;2-methyl-6-[[3-[(3-methylquinoxalin-2-yl)methoxy]phenoxy]methyl]benzoic acid;2-methyl-6-[[3-(naphthalen-2-ylmethoxy)phenoxy]methyl]benzoic acid;2-methyl-6-[[3-[(5-phenyl-2-pyridinyl)methoxy]phenoxy]methyl]benzoic acid;2-[2-methyl-6-[[3-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenoxy]methyl]phenoxy]acetic acid;2-methyl-6-[[3-(quinolin-2-ylmethoxy)phenyl]sulfonylmethyl]benzoic acid;2-methyl-6-[[1-(quinolin-2-ylmethyl)imidazol-4-yl]methoxymethyl]benzoic acid;2-methyl-6-[[3-(quinolin-2-ylmethyl)imidazol-4-yl]methoxymethyl]benzoic acid (PubChem CID 159342416) has the molecular formula C254H253Cl2N13O41S2 and a molecular weight of 4278.91 g/mol. Its IUPAC name is 2-[[3-[(2-chlorophenyl)methoxy]phenoxy]methyl]-6-methylbenzoic acid;2-[[3-[(4-chlorophenyl)methoxy]phenoxy]methyl]-6-methylbenzoic acid;methane;2-methyl-6-[[3-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenoxy]methyl]benzoic acid;2-methyl-6-[[3-[(3-methylquinoxalin-2-yl)methoxy]phenoxy]methyl]benzoic acid;2-methyl-6-[[3-(naphthalen-2-ylmethoxy)phenoxy]methyl]benzoic acid;2-methyl-6-[[3-[(5-phenyl-2-pyridinyl)methoxy]phenoxy]methyl]benzoic acid;2-[2-methyl-6-[[3-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenoxy]methyl]phenoxy]acetic acid;2-methyl-6-[[3-(quinolin-2-ylmethoxy)phenyl]sulfonylmethyl]benzoic acid;2-methyl-6-[[1-(quinolin-2-ylmethyl)imidazol-4-yl]methoxymethyl]benzoic acid;2-methyl-6-[[3-(quinolin-2-ylmethyl)imidazol-4-yl]methoxymethyl]benzoic acid.

Molecular Properties

Compound Name2-[[3-[(2-chlorophenyl)methoxy]phenoxy]methyl]-6-methylbenzoic acid;2-[[3-[(4-chlorophenyl)methoxy]phenoxy]methyl]-6-methylbenzoic acid;methane;2-methyl-6-[[3-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenoxy]methyl]benzoic acid;2-methyl-6-[[3-[(3-methylquinoxalin-2-yl)methoxy]phenoxy]methyl]benzoic acid;2-methyl-6-[[3-(naphthalen-2-ylmethoxy)phenoxy]methyl]benzoic acid;2-methyl-6-[[3-[(5-phenyl-2-pyridinyl)methoxy]phenoxy]methyl]benzoic acid;2-[2-methyl-6-[[3-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenoxy]methyl]phenoxy]acetic acid;2-methyl-6-[[3-(quinolin-2-ylmethoxy)phenyl]sulfonylmethyl]benzoic acid;2-methyl-6-[[1-(quinolin-2-ylmethyl)imidazol-4-yl]methoxymethyl]benzoic acid;2-methyl-6-[[3-(quinolin-2-ylmethyl)imidazol-4-yl]methoxymethyl]benzoic acid
PubChem CID159342416
Molecular FormulaC254H253Cl2N13O41S2
Molecular Weight4278.91 g/mol
Exact Mass4274.69
IUPAC Name2-[[3-[(2-chlorophenyl)methoxy]phenoxy]methyl]-6-methylbenzoic acid;2-[[3-[(4-chlorophenyl)methoxy]phenoxy]methyl]-6-methylbenzoic acid;methane;2-methyl-6-[[3-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenoxy]methyl]benzoic acid;2-methyl-6-[[3-[(3-methylquinoxalin-2-yl)methoxy]phenoxy]methyl]benzoic acid;2-methyl-6-[[3-(naphthalen-2-ylmethoxy)phenoxy]methyl]benzoic acid;2-methyl-6-[[3-[(5-phenyl-2-pyridinyl)methoxy]phenoxy]methyl]benzoic acid;2-[2-methyl-6-[[3-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenoxy]methyl]phenoxy]acetic acid;2-methyl-6-[[3-(quinolin-2-ylmethoxy)phenyl]sulfonylmethyl]benzoic acid;2-methyl-6-[[1-(quinolin-2-ylmethyl)imidazol-4-yl]methoxymethyl]benzoic acid;2-methyl-6-[[3-(quinolin-2-ylmethyl)imidazol-4-yl]methoxymethyl]benzoic acid
SMILESC.C.C.C.C.C.C.C.C.C.Cc1cccc(COCc2cn(Cc3ccc4ccccc4n3)cn2)c1C(=O)O.Cc1cccc(COCc2cncn2Cc2ccc3ccccc3n2)c1C(=O)O.Cc1cccc(COc2cccc(OCc3ccc(-c4ccccc4)cn3)c2)c1C(=O)O.Cc1cccc(COc2cccc(OCc3ccc(Cl)cc3)c2)c1C(=O)O.Cc1cccc(COc2cccc(OCc3ccc4ccccc4c3)c2)c1C(=O)O.Cc1cccc(COc2cccc(OCc3ccccc3Cl)c2)c1C(=O)O.Cc1cccc(COc2cccc(OCc3csc(-c4ccccc4)n3)c2)c1OCC(=O)O.Cc1cccc(COc2cccc(OCc3nc4ccccc4c(=O)n3C)c2)c1C(=O)O.Cc1cccc(COc2cccc(OCc3nc4ccccc4nc3C)c2)c1C(=O)O.Cc1cccc(CS(=O)(=O)c2cccc(OCc3ccc4ccccc4n3)c2)c1C(=O)O
InChIInChI=1S/C27H23NO4.C26H23NO5S.C26H22O4.C25H22N2O5.C25H22N2O4.C25H21NO5S.2C23H21N3O3.2C22H19ClO4.10CH4/c1-19-7-5-10-22(26(19)27(29)30)17-31-24-11-6-12-25(15-24)32-18-23-14-13-21(16-28-23)20-8-3-2-4-9-20;1-18-7-5-10-20(25(18)32-16-24(28)29)14-30-22-11-6-12-23(13-22)31-15-21-17-33-26(27-21)19-8-3-2-4-9-19;1-18-6-4-9-22(25(18)26(27)28)17-30-24-11-5-10-23(15-24)29-16-19-12-13-20-7-2-3-8-21(20)14-19;1-16-7-5-8-17(23(16)25(29)30)14-31-18-9-6-10-19(13-18)32-15-22-26-21-12-4-3-11-20(21)24(28)27(22)2;1-16-7-5-8-18(24(16)25(28)29)14-30-19-9-6-10-20(13-19)31-15-23-17(2)26-21-11-3-4-12-22(21)27-23;1-17-6-4-8-19(24(17)25(27)28)16-32(29,30)22-10-5-9-21(14-22)31-15-20-13-12-18-7-2-3-11-23(18)26-20;1-16-5-4-7-18(22(16)23(27)28)13-29-14-20-11-24-15-26(20)12-19-10-9-17-6-2-3-8-21(17)25-19;1-16-5-4-7-18(22(16)23(27)28)13-29-14-20-12-26(15-24-20)11-19-10-9-17-6-2-3-8-21(17)25-19;1-15-4-2-5-17(21(15)22(24)25)14-27-20-7-3-6-19(12-20)26-13-16-8-10-18(23)11-9-16;1-15-6-4-8-17(21(15)22(24)25)14-27-19-10-5-9-18(12-19)26-13-16-7-2-3-11-20(16)23;;;;;;;;;;/h2-16H,17-18H2,1H3,(H,29,30);2-13,17H,14-16H2,1H3,(H,28,29);2-15H,16-17H2,1H3,(H,27,28);3-13H,14-15H2,1-2H3,(H,29,30);3-13H,14-15H2,1-2H3,(H,28,29);2-14H,15-16H2,1H3,(H,27,28);2-11,15H,12-14H2,1H3,(H,27,28);2-10,12,15H,11,13-14H2,1H3,(H,27,28);2*2-12H,13-14H2,1H3,(H,24,25);10*1H4
InChIKeyLGHIWWYHYIGRFI-UHFFFAOYSA-N
XLogP57.43
TPSA734.04 Ų
H-Bond Donors10
H-Bond Acceptors45
Rotatable Bonds74
Heavy Atoms312
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004278.91
LogP ≤ 557.43
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1045

Analyze 2-[[3-[(2-chlorophenyl)methoxy]phenoxy]methyl]-6-methylbenzoic acid;2-[[3-[(4-chlorophenyl)methoxy]phenoxy]methyl]-6-methylbenzoic acid;methane;2-methyl-6-[[3-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenoxy]methyl]benzoic acid;2-methyl-6-[[3-[(3-methylquinoxalin-2-yl)methoxy]phenoxy]methyl]benzoic acid;2-methyl-6-[[3-(naphthalen-2-ylmethoxy)phenoxy]methyl]benzoic acid;2-methyl-6-[[3-[(5-phenyl-2-pyridinyl)methoxy]phenoxy]methyl]benzoic acid;2-[2-methyl-6-[[3-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenoxy]methyl]phenoxy]acetic acid;2-methyl-6-[[3-(quinolin-2-ylmethoxy)phenyl]sulfonylmethyl]benzoic acid;2-methyl-6-[[1-(quinolin-2-ylmethyl)imidazol-4-yl]methoxymethyl]benzoic acid;2-methyl-6-[[3-(quinolin-2-ylmethyl)imidazol-4-yl]methoxymethyl]benzoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(2-chlorophenyl)methoxy]phenoxy]methyl]-6-methylbenzoic acid;2-[[3-[(4-chlorophenyl)methoxy]phenoxy]methyl]-6-methylbenzoic acid;methane;2-methyl-6-[[3-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenoxy]methyl]benzoic acid;2-methyl-6-[[3-[(3-methylquinoxalin-2-yl)methoxy]phenoxy]methyl]benzoic acid;2-methyl-6-[[3-(naphthalen-2-ylmethoxy)phenoxy]methyl]benzoic acid;2-methyl-6-[[3-[(5-phenyl-2-pyridinyl)methoxy]phenoxy]methyl]benzoic acid;2-[2-methyl-6-[[3-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenoxy]methyl]phenoxy]acetic acid;2-methyl-6-[[3-(quinolin-2-ylmethoxy)phenyl]sulfonylmethyl]benzoic acid;2-methyl-6-[[1-(quinolin-2-ylmethyl)imidazol-4-yl]methoxymethyl]benzoic acid;2-methyl-6-[[3-(quinolin-2-ylmethyl)imidazol-4-yl]methoxymethyl]benzoic acid?
The IUPAC name of 2-[[3-[(2-chlorophenyl)methoxy]phenoxy]methyl]-6-methylbenzoic acid;2-[[3-[(4-chlorophenyl)methoxy]phenoxy]methyl]-6-methylbenzoic acid;methane;2-methyl-6-[[3-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenoxy]methyl]benzoic acid;2-methyl-6-[[3-[(3-methylquinoxalin-2-yl)methoxy]phenoxy]methyl]benzoic acid;2-methyl-6-[[3-(naphthalen-2-ylmethoxy)phenoxy]methyl]benzoic acid;2-methyl-6-[[3-[(5-phenyl-2-pyridinyl)methoxy]phenoxy]methyl]benzoic acid;2-[2-methyl-6-[[3-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenoxy]methyl]phenoxy]acetic acid;2-methyl-6-[[3-(quinolin-2-ylmethoxy)phenyl]sulfonylmethyl]benzoic acid;2-methyl-6-[[1-(quinolin-2-ylmethyl)imidazol-4-yl]methoxymethyl]benzoic acid;2-methyl-6-[[3-(quinolin-2-ylmethyl)imidazol-4-yl]methoxymethyl]benzoic acid (CID 159342416) is 2-[[3-[(2-chlorophenyl)methoxy]phenoxy]methyl]-6-methylbenzoic acid;2-[[3-[(4-chlorophenyl)methoxy]phenoxy]methyl]-6-methylbenzoic acid;methane;2-methyl-6-[[3-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenoxy]methyl]benzoic acid;2-methyl-6-[[3-[(3-methylquinoxalin-2-yl)methoxy]phenoxy]methyl]benzoic acid;2-methyl-6-[[3-(naphthalen-2-ylmethoxy)phenoxy]methyl]benzoic acid;2-methyl-6-[[3-[(5-phenyl-2-pyridinyl)methoxy]phenoxy]methyl]benzoic acid;2-[2-methyl-6-[[3-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenoxy]methyl]phenoxy]acetic acid;2-methyl-6-[[3-(quinolin-2-ylmethoxy)phenyl]sulfonylmethyl]benzoic acid;2-methyl-6-[[1-(quinolin-2-ylmethyl)imidazol-4-yl]methoxymethyl]benzoic acid;2-methyl-6-[[3-(quinolin-2-ylmethyl)imidazol-4-yl]methoxymethyl]benzoic acid.
What is the SMILES notation for 2-[[3-[(2-chlorophenyl)methoxy]phenoxy]methyl]-6-methylbenzoic acid;2-[[3-[(4-chlorophenyl)methoxy]phenoxy]methyl]-6-methylbenzoic acid;methane;2-methyl-6-[[3-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenoxy]methyl]benzoic acid;2-methyl-6-[[3-[(3-methylquinoxalin-2-yl)methoxy]phenoxy]methyl]benzoic acid;2-methyl-6-[[3-(naphthalen-2-ylmethoxy)phenoxy]methyl]benzoic acid;2-methyl-6-[[3-[(5-phenyl-2-pyridinyl)methoxy]phenoxy]methyl]benzoic acid;2-[2-methyl-6-[[3-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenoxy]methyl]phenoxy]acetic acid;2-methyl-6-[[3-(quinolin-2-ylmethoxy)phenyl]sulfonylmethyl]benzoic acid;2-methyl-6-[[1-(quinolin-2-ylmethyl)imidazol-4-yl]methoxymethyl]benzoic acid;2-methyl-6-[[3-(quinolin-2-ylmethyl)imidazol-4-yl]methoxymethyl]benzoic acid?
The canonical SMILES for 2-[[3-[(2-chlorophenyl)methoxy]phenoxy]methyl]-6-methylbenzoic acid;2-[[3-[(4-chlorophenyl)methoxy]phenoxy]methyl]-6-methylbenzoic acid;methane;2-methyl-6-[[3-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenoxy]methyl]benzoic acid;2-methyl-6-[[3-[(3-methylquinoxalin-2-yl)methoxy]phenoxy]methyl]benzoic acid;2-methyl-6-[[3-(naphthalen-2-ylmethoxy)phenoxy]methyl]benzoic acid;2-methyl-6-[[3-[(5-phenyl-2-pyridinyl)methoxy]phenoxy]methyl]benzoic acid;2-[2-methyl-6-[[3-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenoxy]methyl]phenoxy]acetic acid;2-methyl-6-[[3-(quinolin-2-ylmethoxy)phenyl]sulfonylmethyl]benzoic acid;2-methyl-6-[[1-(quinolin-2-ylmethyl)imidazol-4-yl]methoxymethyl]benzoic acid;2-methyl-6-[[3-(quinolin-2-ylmethyl)imidazol-4-yl]methoxymethyl]benzoic acid is C.C.C.C.C.C.C.C.C.C.Cc1cccc(COCc2cn(Cc3ccc4ccccc4n3)cn2)c1C(=O)O.Cc1cccc(COCc2cncn2Cc2ccc3ccccc3n2)c1C(=O)O.Cc1cccc(COc2cccc(OCc3ccc(-c4ccccc4)cn3)c2)c1C(=O)O.Cc1cccc(COc2cccc(OCc3ccc(Cl)cc3)c2)c1C(=O)O.Cc1cccc(COc2cccc(OCc3ccc4ccccc4c3)c2)c1C(=O)O.Cc1cccc(COc2cccc(OCc3ccccc3Cl)c2)c1C(=O)O.Cc1cccc(COc2cccc(OCc3csc(-c4ccccc4)n3)c2)c1OCC(=O)O.Cc1cccc(COc2cccc(OCc3nc4ccccc4c(=O)n3C)c2)c1C(=O)O.Cc1cccc(COc2cccc(OCc3nc4ccccc4nc3C)c2)c1C(=O)O.Cc1cccc(CS(=O)(=O)c2cccc(OCc3ccc4ccccc4n3)c2)c1C(=O)O.
What is the InChIKey of 2-[[3-[(2-chlorophenyl)methoxy]phenoxy]methyl]-6-methylbenzoic acid;2-[[3-[(4-chlorophenyl)methoxy]phenoxy]methyl]-6-methylbenzoic acid;methane;2-methyl-6-[[3-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenoxy]methyl]benzoic acid;2-methyl-6-[[3-[(3-methylquinoxalin-2-yl)methoxy]phenoxy]methyl]benzoic acid;2-methyl-6-[[3-(naphthalen-2-ylmethoxy)phenoxy]methyl]benzoic acid;2-methyl-6-[[3-[(5-phenyl-2-pyridinyl)methoxy]phenoxy]methyl]benzoic acid;2-[2-methyl-6-[[3-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenoxy]methyl]phenoxy]acetic acid;2-methyl-6-[[3-(quinolin-2-ylmethoxy)phenyl]sulfonylmethyl]benzoic acid;2-methyl-6-[[1-(quinolin-2-ylmethyl)imidazol-4-yl]methoxymethyl]benzoic acid;2-methyl-6-[[3-(quinolin-2-ylmethyl)imidazol-4-yl]methoxymethyl]benzoic acid?
The InChIKey is LGHIWWYHYIGRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23NO4.C26H23NO5S.C26H22O4.C25H22N2O5.C25H22N2O4.C25H21NO5S.2C23H21N3O3.2C22H19ClO4.10CH4/c1-19-7-5-10-22(26(19)27(29)30)17-31-24-11-6-12-25(15-24)32-18-23-14-13-21(16-28-23)20-8-3-2-4-9-20;1-18-7-5-10-20(25(18)32-16-24(28)29)14-30-22-11-6-12-23(13-22)31-15-21-17-33-26(27-21)19-8-3-2-4-9-19;1-18-6-4-9-22(25(18)26(27)28)17-30-24-11-5-10-23(15-24)29-16-19-12-13-20-7-2-3-8-21(20)14-19;1-16-7-5-8-17(23(16)25(29)30)14-31-18-9-6-10-19(13-18)32-15-22-26-21-12-4-3-11-20(21)24(28)27(22)2;1-16-7-5-8-18(24(16)25(28)29)14-30-19-9-6-10-20(13-19)31-15-23-17(2)26-21-11-3-4-12-22(21)27-23;1-17-6-4-8-19(24(17)25(27)28)16-32(29,30)22-10-5-9-21(14-22)31-15-20-13-12-18-7-2-3-11-23(18)26-20;1-16-5-4-7-18(22(16)23(27)28)13-29-14-20-11-24-15-26(20)12-19-10-9-17-6-2-3-8-21(17)25-19;1-16-5-4-7-18(22(16)23(27)28)13-29-14-20-12-26(15-24-20)11-19-10-9-17-6-2-3-8-21(17)25-19;1-15-4-2-5-17(21(15)22(24)25)14-27-20-7-3-6-19(12-20)26-13-16-8-10-18(23)11-9-16;1-15-6-4-8-17(21(15)22(24)25)14-27-19-10-5-9-18(12-19)26-13-16-7-2-3-11-20(16)23;;;;;;;;;;/h2-16H,17-18H2,1H3,(H,29,30);2-13,17H,14-16H2,1H3,(H,28,29);2-15H,16-17H2,1H3,(H,27,28);3-13H,14-15H2,1-2H3,(H,29,30);3-13H,14-15H2,1-2H3,(H,28,29);2-14H,15-16H2,1H3,(H,27,28);2-11,15H,12-14H2,1H3,(H,27,28);2-10,12,15H,11,13-14H2,1H3,(H,27,28);2*2-12H,13-14H2,1H3,(H,24,25);10*1H4.
What are the key properties of 2-[[3-[(2-chlorophenyl)methoxy]phenoxy]methyl]-6-methylbenzoic acid;2-[[3-[(4-chlorophenyl)methoxy]phenoxy]methyl]-6-methylbenzoic acid;methane;2-methyl-6-[[3-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenoxy]methyl]benzoic acid;2-methyl-6-[[3-[(3-methylquinoxalin-2-yl)methoxy]phenoxy]methyl]benzoic acid;2-methyl-6-[[3-(naphthalen-2-ylmethoxy)phenoxy]methyl]benzoic acid;2-methyl-6-[[3-[(5-phenyl-2-pyridinyl)methoxy]phenoxy]methyl]benzoic acid;2-[2-methyl-6-[[3-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenoxy]methyl]phenoxy]acetic acid;2-methyl-6-[[3-(quinolin-2-ylmethoxy)phenyl]sulfonylmethyl]benzoic acid;2-methyl-6-[[1-(quinolin-2-ylmethyl)imidazol-4-yl]methoxymethyl]benzoic acid;2-methyl-6-[[3-(quinolin-2-ylmethyl)imidazol-4-yl]methoxymethyl]benzoic acid?
2-[[3-[(2-chlorophenyl)methoxy]phenoxy]methyl]-6-methylbenzoic acid;2-[[3-[(4-chlorophenyl)methoxy]phenoxy]methyl]-6-methylbenzoic acid;methane;2-methyl-6-[[3-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenoxy]methyl]benzoic acid;2-methyl-6-[[3-[(3-methylquinoxalin-2-yl)methoxy]phenoxy]methyl]benzoic acid;2-methyl-6-[[3-(naphthalen-2-ylmethoxy)phenoxy]methyl]benzoic acid;2-methyl-6-[[3-[(5-phenyl-2-pyridinyl)methoxy]phenoxy]methyl]benzoic acid;2-[2-methyl-6-[[3-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenoxy]methyl]phenoxy]acetic acid;2-methyl-6-[[3-(quinolin-2-ylmethoxy)phenyl]sulfonylmethyl]benzoic acid;2-methyl-6-[[1-(quinolin-2-ylmethyl)imidazol-4-yl]methoxymethyl]benzoic acid;2-methyl-6-[[3-(quinolin-2-ylmethyl)imidazol-4-yl]methoxymethyl]benzoic acid has a molecular weight of 4278.91 g/mol, XLogP of 57.43, 74 rotatable bonds, 10 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(2-chlorophenyl)methoxy]phenoxy]methyl]-6-methylbenzoic acid;2-[[3-[(4-chlorophenyl)methoxy]phenoxy]methyl]-6-methylbenzoic acid;methane;2-methyl-6-[[3-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenoxy]methyl]benzoic acid;2-methyl-6-[[3-[(3-methylquinoxalin-2-yl)methoxy]phenoxy]methyl]benzoic acid;2-methyl-6-[[3-(naphthalen-2-ylmethoxy)phenoxy]methyl]benzoic acid;2-methyl-6-[[3-[(5-phenyl-2-pyridinyl)methoxy]phenoxy]methyl]benzoic acid;2-[2-methyl-6-[[3-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenoxy]methyl]phenoxy]acetic acid;2-methyl-6-[[3-(quinolin-2-ylmethoxy)phenyl]sulfonylmethyl]benzoic acid;2-methyl-6-[[1-(quinolin-2-ylmethyl)imidazol-4-yl]methoxymethyl]benzoic acid;2-methyl-6-[[3-(quinolin-2-ylmethyl)imidazol-4-yl]methoxymethyl]benzoic acid is sourced from PubChem (CID 159342416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).