3-(3-amino-2-hydroxy-5-methylphenyl)benzoic acid;1-bromo-2-methoxy-5-methyl-3-nitrobenzene;2-bromo-4-methyl-6-nitrophenol;2-bromo-4-methylphenol;3-[2-hydroxy-5-methyl-3-[[5-methyl-3-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-4-yl]diazenyl]phenyl]benzoic acid;3-(2-hydroxy-5-methyl-3-nitrophenyl)benzoic acid;3-(2-methoxy-5-methyl-3-nitrophenyl)benzoic acid;5-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-4H-pyrazol-3-one;hydrochloride

C107H101Br3ClN11O25 — CID 160795910

IUPAC3-(3-amino-2-hydroxy-5-methylphenyl)benzoic acid;1-bromo-2-methoxy-5-methyl-3-nitrobenzene;2-bromo-4-methyl-6-nitrophenol;2-bromo-4-methylphenol;3-[2-hydroxy-5-methyl-3-[[5-methyl-3-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-4-yl]diazenyl]phenyl]benzoic acid;3-(2-hydroxy-5-methyl-3-nitrophenyl)benzoic acid;3-(2-methoxy-5-methyl-3-nitrophenyl)benzoic acid;5-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-4H-pyrazol-3-one;hydrochloride
SMILESCC1=NN(c2ccc3c(c2)CCCC3)C(=O)C1.COc1c(-c2cccc(C(=O)O)c2)cc(C)cc1[N+](=O)[O-].COc1c(Br)cc(C)cc1[N+](=O)[O-].Cc1cc(-c2cccc(C(=O)O)c2)c(O)c([N+](=O)[O-])c1.Cc1cc(/N=N/c2c(C)[nH]n(-c3ccc4c(c3)CCCC4)c2=O)c(O)c(-c2cccc(C(=O)O)c2)c1.Cc1cc(Br)c(O)c([N+](=O)[O-])c1.Cc1cc(N)c(O)c(-c2cccc(C(=O)O)c2)c1.Cc1ccc(O)c(Br)c1.Cl
InChIInChI=1S/C28H26N4O4.C15H13NO5.C14H16N2O.C14H11NO5.C14H13NO3.C8H8BrNO3.C7H6BrNO3.C7H7BrO.ClH/c1-16-12-23(20-8-5-9-21(14-20)28(35)36)26(33)24(13-16)29-30-25-17(2)31-32(27(25)34)22-11-10-18-6-3-4-7-19(18)15-22;1-9-6-12(14(21-2)13(7-9)16(19)20)10-4-3-5-11(8-10)15(17)18;1-10-8-14(17)16(15-10)13-7-6-11-4-2-3-5-12(11)9-13;1-8-5-11(13(16)12(6-8)15(19)20)9-3-2-4-10(7-9)14(17)18;1-8-5-11(13(16)12(15)6-8)9-3-2-4-10(7-9)14(17)18;1-5-3-6(9)8(13-2)7(4-5)10(11)12;1-4-2-5(8)7(10)6(3-4)9(11)12;1-5-2-3-7(9)6(8)4-5;/h5,8-15,31,33H,3-4,6-7H2,1-2H3,(H,35,36);3-8H,1-2H3,(H,17,18);6-7,9H,2-5,8H2,1H3;2-7,16H,1H3,(H,17,18);2-7,16H,15H2,1H3,(H,17,18);3-4H,1-2H3;2-3,10H,1H3;2-4,9H,1H3;1H/b30-29+;;;;;;;;
InChIKeyUKGMVLRWSDFQMZ-DKBOZUKYSA-N
MW2216.20 g/mol
LogP25.66
Rot. Bonds18

About 3-(3-amino-2-hydroxy-5-methylphenyl)benzoic acid;1-bromo-2-methoxy-5-methyl-3-nitrobenzene;2-bromo-4-methyl-6-nitrophenol;2-bromo-4-methylphenol;3-[2-hydroxy-5-methyl-3-[[5-methyl-3-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-4-yl]diazenyl]phenyl]benzoic acid;3-(2-hydroxy-5-methyl-3-nitrophenyl)benzoic acid;3-(2-methoxy-5-methyl-3-nitrophenyl)benzoic acid;5-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-4H-pyrazol-3-one;hydrochloride

3-(3-amino-2-hydroxy-5-methylphenyl)benzoic acid;1-bromo-2-methoxy-5-methyl-3-nitrobenzene;2-bromo-4-methyl-6-nitrophenol;2-bromo-4-methylphenol;3-[2-hydroxy-5-methyl-3-[[5-methyl-3-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-4-yl]diazenyl]phenyl]benzoic acid;3-(2-hydroxy-5-methyl-3-nitrophenyl)benzoic acid;3-(2-methoxy-5-methyl-3-nitrophenyl)benzoic acid;5-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-4H-pyrazol-3-one;hydrochloride (PubChem CID 160795910) has the molecular formula C107H101Br3ClN11O25 and a molecular weight of 2216.20 g/mol. Its IUPAC name is 3-(3-amino-2-hydroxy-5-methylphenyl)benzoic acid;1-bromo-2-methoxy-5-methyl-3-nitrobenzene;2-bromo-4-methyl-6-nitrophenol;2-bromo-4-methylphenol;3-[2-hydroxy-5-methyl-3-[[5-methyl-3-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-4-yl]diazenyl]phenyl]benzoic acid;3-(2-hydroxy-5-methyl-3-nitrophenyl)benzoic acid;3-(2-methoxy-5-methyl-3-nitrophenyl)benzoic acid;5-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-4H-pyrazol-3-one;hydrochloride.

Molecular Properties

Compound Name3-(3-amino-2-hydroxy-5-methylphenyl)benzoic acid;1-bromo-2-methoxy-5-methyl-3-nitrobenzene;2-bromo-4-methyl-6-nitrophenol;2-bromo-4-methylphenol;3-[2-hydroxy-5-methyl-3-[[5-methyl-3-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-4-yl]diazenyl]phenyl]benzoic acid;3-(2-hydroxy-5-methyl-3-nitrophenyl)benzoic acid;3-(2-methoxy-5-methyl-3-nitrophenyl)benzoic acid;5-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-4H-pyrazol-3-one;hydrochloride
PubChem CID160795910
Molecular FormulaC107H101Br3ClN11O25
Molecular Weight2216.20 g/mol
Exact Mass2211.42
IUPAC Name3-(3-amino-2-hydroxy-5-methylphenyl)benzoic acid;1-bromo-2-methoxy-5-methyl-3-nitrobenzene;2-bromo-4-methyl-6-nitrophenol;2-bromo-4-methylphenol;3-[2-hydroxy-5-methyl-3-[[5-methyl-3-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-4-yl]diazenyl]phenyl]benzoic acid;3-(2-hydroxy-5-methyl-3-nitrophenyl)benzoic acid;3-(2-methoxy-5-methyl-3-nitrophenyl)benzoic acid;5-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-4H-pyrazol-3-one;hydrochloride
SMILESCC1=NN(c2ccc3c(c2)CCCC3)C(=O)C1.COc1c(-c2cccc(C(=O)O)c2)cc(C)cc1[N+](=O)[O-].COc1c(Br)cc(C)cc1[N+](=O)[O-].Cc1cc(-c2cccc(C(=O)O)c2)c(O)c([N+](=O)[O-])c1.Cc1cc(/N=N/c2c(C)[nH]n(-c3ccc4c(c3)CCCC4)c2=O)c(O)c(-c2cccc(C(=O)O)c2)c1.Cc1cc(Br)c(O)c([N+](=O)[O-])c1.Cc1cc(N)c(O)c(-c2cccc(C(=O)O)c2)c1.Cc1ccc(O)c(Br)c1.Cl
InChIInChI=1S/C28H26N4O4.C15H13NO5.C14H16N2O.C14H11NO5.C14H13NO3.C8H8BrNO3.C7H6BrNO3.C7H7BrO.ClH/c1-16-12-23(20-8-5-9-21(14-20)28(35)36)26(33)24(13-16)29-30-25-17(2)31-32(27(25)34)22-11-10-18-6-3-4-7-19(18)15-22;1-9-6-12(14(21-2)13(7-9)16(19)20)10-4-3-5-11(8-10)15(17)18;1-10-8-14(17)16(15-10)13-7-6-11-4-2-3-5-12(11)9-13;1-8-5-11(13(16)12(6-8)15(19)20)9-3-2-4-10(7-9)14(17)18;1-8-5-11(13(16)12(15)6-8)9-3-2-4-10(7-9)14(17)18;1-5-3-6(9)8(13-2)7(4-5)10(11)12;1-4-2-5(8)7(10)6(3-4)9(11)12;1-5-2-3-7(9)6(8)4-5;/h5,8-15,31,33H,3-4,6-7H2,1-2H3,(H,35,36);3-8H,1-2H3,(H,17,18);6-7,9H,2-5,8H2,1H3;2-7,16H,1H3,(H,17,18);2-7,16H,15H2,1H3,(H,17,18);3-4H,1-2H3;2-3,10H,1H3;2-4,9H,1H3;1H/b30-29+;;;;;;;;
InChIKeyUKGMVLRWSDFQMZ-DKBOZUKYSA-N
XLogP25.66
TPSA562.57 Ų
H-Bond Donors11
H-Bond Acceptors26
Rotatable Bonds18
Heavy Atoms147
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002216.20
LogP ≤ 525.66
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Analyze 3-(3-amino-2-hydroxy-5-methylphenyl)benzoic acid;1-bromo-2-methoxy-5-methyl-3-nitrobenzene;2-bromo-4-methyl-6-nitrophenol;2-bromo-4-methylphenol;3-[2-hydroxy-5-methyl-3-[[5-methyl-3-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-4-yl]diazenyl]phenyl]benzoic acid;3-(2-hydroxy-5-methyl-3-nitrophenyl)benzoic acid;3-(2-methoxy-5-methyl-3-nitrophenyl)benzoic acid;5-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-4H-pyrazol-3-one;hydrochloride with MolForge

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Related Compounds

3-(3-amino-5-fluoro-2-hydroxyphenyl)benzoic acid;1-bromo-5-fluoro-2-methoxy-3-nitrobenzene;2-bromo-4-fluoro-6-nitrophenol;2-bromo-4-fluorophenol;3-[3-[[2-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-5-fluoro-2-hydroxyphenyl]benzoic acid;2-(2,3-dihydro-1H-inden-5-yl)-5-methyl-4H-pyrazol-3-one;3-(5-fluoro-2-hydroxy-3-nitrophenyl)benzoic acid;3-(5-fluoro-2-methoxy-3-nitrophenyl)benzoic acid
CID 157175732
3-(3-amino-2-hydroxyphenyl)benzoic acid;3-(3-amino-2-methoxyphenyl)benzoic acid;1-bromo-2-methoxy-3-nitrobenzene;2-bromo-6-nitrophenol;2-bromophenol;2,3-dihydro-1H-inden-5-amine;2,3-dihydro-1H-inden-5-ylhydrazine;2-(2,3-dihydro-1H-inden-5-yl)-5-methyl-4H-pyrazol-3-one;3-(2-methoxy-3-nitrophenyl)benzoic acid;hydrobromide
CID 157189071
3-(3-amino-2-hydroxyphenyl)benzoic acid;1-bromo-2-methoxy-3-nitrobenzene;2-bromo-6-nitrophenol;2-bromophenol;3-(dihydroxymethyl)benzoic acid;3-[3-[[2-(3,4-dimethylphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-2-hydroxyphenyl]benzoic acid;2-(3,4-dimethylphenyl)-5-methyl-1H-pyrazol-3-one;3-(2-hydroxy-3-nitrophenyl)benzoic acid;methane;3-(2-methoxy-3-nitrophenyl)benzoic acid;hydrobromide
CID 157955289
1-bromo-2-methoxy-5-methyl-3-nitrobenzene;2-bromo-4-methyl-6-nitrophenol;2-bromo-4-methylphenol;3-[2-hydroxy-5-methyl-3-[[5-methyl-3-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-4-yl]diazenyl]phenyl]benzoic acid;3-(2-hydroxy-5-methyl-3-nitrophenyl)benzoic acid;3-(2-methoxy-5-methyl-3-nitrophenyl)benzoic acid
CID 158712639
3-(3-amino-5-fluoro-2-hydroxyphenyl)benzoic acid;1-bromo-5-fluoro-2-methoxy-3-nitrobenzene;2-bromo-4-fluoro-6-nitrophenol;2-bromo-4-fluorophenol;3-[3-[[2-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-5-fluoro-2-hydroxyphenyl]benzoic acid;3-(5-fluoro-2-hydroxy-3-nitrophenyl)benzoic acid;3-(5-fluoro-2-methoxy-3-nitrophenyl)benzoic acid
CID 159116133
CID 159345758
CID 159345758
3-(3-amino-2-hydroxyphenyl)benzoic acid;3-(3-amino-2-methoxyphenyl)benzoic acid;bis(2-bromo-6-nitrophenol);2-bromophenol;2,3-dihydro-1H-inden-5-amine;2,3-dihydro-1H-inden-5-ylhydrazine;3-[3-[[2-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-2-hydroxyphenyl]benzoic acid;3-(2-methoxy-3-nitrophenyl)benzoic acid;hydrobromide
CID 160807623
bis(2-aminoethanol);3-(3-amino-2-hydroxyphenyl)benzoic acid;3-(3-amino-2-methoxyphenyl)benzoic acid;1-bromo-2-methoxy-3-nitrobenzene;2-bromo-6-nitrophenol;2-bromophenol;2,3-dihydro-1H-inden-5-amine;2,3-dihydro-1H-inden-5-ylhydrazine;3-[3-[[2-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-2-hydroxyphenyl]benzoic acid;3-(2-methoxy-3-nitrophenyl)benzoic acid;hydrobromide
CID 161981064
3-(3-amino-2-hydroxyphenyl)benzoic acid;3-(3-amino-2-methoxyphenyl)benzoic acid;1-bromo-2-methoxy-3-nitrobenzene;2-bromo-6-nitrophenol;2-bromophenol;2,3-dihydro-1H-inden-5-amine;2,3-dihydro-1H-inden-5-ylhydrazine;3-[3-[[2-(2,3-dihydro-1H-inden-5-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-2-hydroxyphenyl]benzoic acid;2-(2,3-dihydro-1H-inden-5-yl)-5-methyl-4H-pyrazol-3-one;methane;3-(2-methoxy-3-nitrophenyl)benzoic acid;hydrobromide
CID 162125920

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-2-hydroxy-5-methylphenyl)benzoic acid;1-bromo-2-methoxy-5-methyl-3-nitrobenzene;2-bromo-4-methyl-6-nitrophenol;2-bromo-4-methylphenol;3-[2-hydroxy-5-methyl-3-[[5-methyl-3-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-4-yl]diazenyl]phenyl]benzoic acid;3-(2-hydroxy-5-methyl-3-nitrophenyl)benzoic acid;3-(2-methoxy-5-methyl-3-nitrophenyl)benzoic acid;5-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-4H-pyrazol-3-one;hydrochloride?
The IUPAC name of 3-(3-amino-2-hydroxy-5-methylphenyl)benzoic acid;1-bromo-2-methoxy-5-methyl-3-nitrobenzene;2-bromo-4-methyl-6-nitrophenol;2-bromo-4-methylphenol;3-[2-hydroxy-5-methyl-3-[[5-methyl-3-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-4-yl]diazenyl]phenyl]benzoic acid;3-(2-hydroxy-5-methyl-3-nitrophenyl)benzoic acid;3-(2-methoxy-5-methyl-3-nitrophenyl)benzoic acid;5-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-4H-pyrazol-3-one;hydrochloride (CID 160795910) is 3-(3-amino-2-hydroxy-5-methylphenyl)benzoic acid;1-bromo-2-methoxy-5-methyl-3-nitrobenzene;2-bromo-4-methyl-6-nitrophenol;2-bromo-4-methylphenol;3-[2-hydroxy-5-methyl-3-[[5-methyl-3-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-4-yl]diazenyl]phenyl]benzoic acid;3-(2-hydroxy-5-methyl-3-nitrophenyl)benzoic acid;3-(2-methoxy-5-methyl-3-nitrophenyl)benzoic acid;5-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-4H-pyrazol-3-one;hydrochloride.
What is the SMILES notation for 3-(3-amino-2-hydroxy-5-methylphenyl)benzoic acid;1-bromo-2-methoxy-5-methyl-3-nitrobenzene;2-bromo-4-methyl-6-nitrophenol;2-bromo-4-methylphenol;3-[2-hydroxy-5-methyl-3-[[5-methyl-3-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-4-yl]diazenyl]phenyl]benzoic acid;3-(2-hydroxy-5-methyl-3-nitrophenyl)benzoic acid;3-(2-methoxy-5-methyl-3-nitrophenyl)benzoic acid;5-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-4H-pyrazol-3-one;hydrochloride?
The canonical SMILES for 3-(3-amino-2-hydroxy-5-methylphenyl)benzoic acid;1-bromo-2-methoxy-5-methyl-3-nitrobenzene;2-bromo-4-methyl-6-nitrophenol;2-bromo-4-methylphenol;3-[2-hydroxy-5-methyl-3-[[5-methyl-3-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-4-yl]diazenyl]phenyl]benzoic acid;3-(2-hydroxy-5-methyl-3-nitrophenyl)benzoic acid;3-(2-methoxy-5-methyl-3-nitrophenyl)benzoic acid;5-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-4H-pyrazol-3-one;hydrochloride is CC1=NN(c2ccc3c(c2)CCCC3)C(=O)C1.COc1c(-c2cccc(C(=O)O)c2)cc(C)cc1[N+](=O)[O-].COc1c(Br)cc(C)cc1[N+](=O)[O-].Cc1cc(-c2cccc(C(=O)O)c2)c(O)c([N+](=O)[O-])c1.Cc1cc(/N=N/c2c(C)[nH]n(-c3ccc4c(c3)CCCC4)c2=O)c(O)c(-c2cccc(C(=O)O)c2)c1.Cc1cc(Br)c(O)c([N+](=O)[O-])c1.Cc1cc(N)c(O)c(-c2cccc(C(=O)O)c2)c1.Cc1ccc(O)c(Br)c1.Cl.
What is the InChIKey of 3-(3-amino-2-hydroxy-5-methylphenyl)benzoic acid;1-bromo-2-methoxy-5-methyl-3-nitrobenzene;2-bromo-4-methyl-6-nitrophenol;2-bromo-4-methylphenol;3-[2-hydroxy-5-methyl-3-[[5-methyl-3-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-4-yl]diazenyl]phenyl]benzoic acid;3-(2-hydroxy-5-methyl-3-nitrophenyl)benzoic acid;3-(2-methoxy-5-methyl-3-nitrophenyl)benzoic acid;5-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-4H-pyrazol-3-one;hydrochloride?
The InChIKey is UKGMVLRWSDFQMZ-DKBOZUKYSA-N. The full InChI is InChI=1S/C28H26N4O4.C15H13NO5.C14H16N2O.C14H11NO5.C14H13NO3.C8H8BrNO3.C7H6BrNO3.C7H7BrO.ClH/c1-16-12-23(20-8-5-9-21(14-20)28(35)36)26(33)24(13-16)29-30-25-17(2)31-32(27(25)34)22-11-10-18-6-3-4-7-19(18)15-22;1-9-6-12(14(21-2)13(7-9)16(19)20)10-4-3-5-11(8-10)15(17)18;1-10-8-14(17)16(15-10)13-7-6-11-4-2-3-5-12(11)9-13;1-8-5-11(13(16)12(6-8)15(19)20)9-3-2-4-10(7-9)14(17)18;1-8-5-11(13(16)12(15)6-8)9-3-2-4-10(7-9)14(17)18;1-5-3-6(9)8(13-2)7(4-5)10(11)12;1-4-2-5(8)7(10)6(3-4)9(11)12;1-5-2-3-7(9)6(8)4-5;/h5,8-15,31,33H,3-4,6-7H2,1-2H3,(H,35,36);3-8H,1-2H3,(H,17,18);6-7,9H,2-5,8H2,1H3;2-7,16H,1H3,(H,17,18);2-7,16H,15H2,1H3,(H,17,18);3-4H,1-2H3;2-3,10H,1H3;2-4,9H,1H3;1H/b30-29+;;;;;;;;.
What are the key properties of 3-(3-amino-2-hydroxy-5-methylphenyl)benzoic acid;1-bromo-2-methoxy-5-methyl-3-nitrobenzene;2-bromo-4-methyl-6-nitrophenol;2-bromo-4-methylphenol;3-[2-hydroxy-5-methyl-3-[[5-methyl-3-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-4-yl]diazenyl]phenyl]benzoic acid;3-(2-hydroxy-5-methyl-3-nitrophenyl)benzoic acid;3-(2-methoxy-5-methyl-3-nitrophenyl)benzoic acid;5-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-4H-pyrazol-3-one;hydrochloride?
3-(3-amino-2-hydroxy-5-methylphenyl)benzoic acid;1-bromo-2-methoxy-5-methyl-3-nitrobenzene;2-bromo-4-methyl-6-nitrophenol;2-bromo-4-methylphenol;3-[2-hydroxy-5-methyl-3-[[5-methyl-3-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-4-yl]diazenyl]phenyl]benzoic acid;3-(2-hydroxy-5-methyl-3-nitrophenyl)benzoic acid;3-(2-methoxy-5-methyl-3-nitrophenyl)benzoic acid;5-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-4H-pyrazol-3-one;hydrochloride has a molecular weight of 2216.20 g/mol, XLogP of 25.66, 18 rotatable bonds, 11 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-2-hydroxy-5-methylphenyl)benzoic acid;1-bromo-2-methoxy-5-methyl-3-nitrobenzene;2-bromo-4-methyl-6-nitrophenol;2-bromo-4-methylphenol;3-[2-hydroxy-5-methyl-3-[[5-methyl-3-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-4-yl]diazenyl]phenyl]benzoic acid;3-(2-hydroxy-5-methyl-3-nitrophenyl)benzoic acid;3-(2-methoxy-5-methyl-3-nitrophenyl)benzoic acid;5-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-4H-pyrazol-3-one;hydrochloride is sourced from PubChem (CID 160795910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).