2-amino-5-methylphenol;4-amino-2-methylphenol;5-amino-2-methylphenol;2-chloro-1-methylbenzimidazole;2-(difluoromethyl)-1-methylbenzimidazole;1,2-dimethylbenzimidazole;3-methylaniline;1-methylbenzimidazole;4-methyl-1H-benzimidazole;1-methylimidazo[4,5-b]pyridine;1-methylimidazo[4,5-c]pyridine;3-methylimidazo[4,5-c]pyridine;1-methylindazole;5-methyl-1H-indazole;7-methyl-1H-indazole;6-methyl-1H-indene;4-methyl-1H-indole;5-methyl-1H-indole;7-methyl-1H-indole;6-methyl-1H-isoindole;3-methylphenol

C168H176ClF2N33O4 — CID 158614824

About 2-amino-5-methylphenol;4-amino-2-methylphenol;5-amino-2-methylphenol;2-chloro-1-methylbenzimidazole;2-(difluoromethyl)-1-methylbenzimidazole;1,2-dimethylbenzimidazole;3-methylaniline;1-methylbenzimidazole;4-methyl-1H-benzimidazole;1-methylimidazo[4,5-b]pyridine;1-methylimidazo[4,5-c]pyridine;3-methylimidazo[4,5-c]pyridine;1-methylindazole;5-methyl-1H-indazole;7-methyl-1H-indazole;6-methyl-1H-indene;4-methyl-1H-indole;5-methyl-1H-indole;7-methyl-1H-indole;6-methyl-1H-isoindole;3-methylphenol

2-amino-5-methylphenol;4-amino-2-methylphenol;5-amino-2-methylphenol;2-chloro-1-methylbenzimidazole;2-(difluoromethyl)-1-methylbenzimidazole;1,2-dimethylbenzimidazole;3-methylaniline;1-methylbenzimidazole;4-methyl-1H-benzimidazole;1-methylimidazo[4,5-b]pyridine;1-methylimidazo[4,5-c]pyridine;3-methylimidazo[4,5-c]pyridine;1-methylindazole;5-methyl-1H-indazole;7-methyl-1H-indazole;6-methyl-1H-indene;4-methyl-1H-indole;5-methyl-1H-indole;7-methyl-1H-indole;6-methyl-1H-isoindole;3-methylphenol (PubChem CID 158614824) has the molecular formula C168H176ClF2N33O4 and a molecular weight of 2794.93 g/mol. Its IUPAC name is 2-amino-5-methylphenol;4-amino-2-methylphenol;5-amino-2-methylphenol;2-chloro-1-methylbenzimidazole;2-(difluoromethyl)-1-methylbenzimidazole;1,2-dimethylbenzimidazole;3-methylaniline;1-methylbenzimidazole;4-methyl-1H-benzimidazole;1-methylimidazo[4,5-b]pyridine;1-methylimidazo[4,5-c]pyridine;3-methylimidazo[4,5-c]pyridine;1-methylindazole;5-methyl-1H-indazole;7-methyl-1H-indazole;6-methyl-1H-indene;4-methyl-1H-indole;5-methyl-1H-indole;7-methyl-1H-indole;6-methyl-1H-isoindole;3-methylphenol.

Molecular Properties

• Compound Name: 2-amino-5-methylphenol;4-amino-2-methylphenol;5-amino-2-methylphenol;2-chloro-1-methylbenzimidazole;2-(difluoromethyl)-1-methylbenzimidazole;1,2-dimethylbenzimidazole;3-methylaniline;1-methylbenzimidazole;4-methyl-1H-benzimidazole;1-methylimidazo[4,5-b]pyridine;1-methylimidazo[4,5-c]pyridine;3-methylimidazo[4,5-c]pyridine;1-methylindazole;5-methyl-1H-indazole;7-methyl-1H-indazole;6-methyl-1H-indene;4-methyl-1H-indole;5-methyl-1H-indole;7-methyl-1H-indole;6-methyl-1H-isoindole;3-methylphenol
• PubChem CID: 158614824
• Molecular Formula: C168H176ClF2N33O4
• Molecular Weight: 2794.93 g/mol
• Exact Mass: 2792.42
• IUPAC Name: 2-amino-5-methylphenol;4-amino-2-methylphenol;5-amino-2-methylphenol;2-chloro-1-methylbenzimidazole;2-(difluoromethyl)-1-methylbenzimidazole;1,2-dimethylbenzimidazole;3-methylaniline;1-methylbenzimidazole;4-methyl-1H-benzimidazole;1-methylimidazo[4,5-b]pyridine;1-methylimidazo[4,5-c]pyridine;3-methylimidazo[4,5-c]pyridine;1-methylindazole;5-methyl-1H-indazole;7-methyl-1H-indazole;6-methyl-1H-indene;4-methyl-1H-indole;5-methyl-1H-indole;7-methyl-1H-indole;6-methyl-1H-isoindole;3-methylphenol
• SMILES: Cc1cc(N)ccc1O.Cc1ccc(N)c(O)c1.Cc1ccc(N)cc1O.Cc1ccc2[nH]ccc2c1.Cc1ccc2[nH]ncc2c1.Cc1ccc2c(c1)CC=C2.Cc1ccc2c(c1)CN=C2.Cc1cccc(N)c1.Cc1cccc(O)c1.Cc1cccc2[nH]ccc12.Cc1cccc2[nH]cnc12.Cc1cccc2cc[nH]c12.Cc1cccc2cn[nH]c12.Cc1nc2ccccc2n1C.Cn1c(C(F)F)nc2ccccc21.Cn1c(Cl)nc2ccccc21.Cn1cnc2ccccc21.Cn1cnc2ccncc21.Cn1cnc2cnccc21.Cn1cnc2ncccc21.Cn1ncc2ccccc21
• InChI: InChI=1S/C10H10.C9H8F2N2.C9H10N2.4C9H9N.C8H7ClN2.5C8H8N2.3C7H7N3.3C7H9NO.C7H9N.C7H8O/c1-8-5-6-9-3-2-4-10(9)7-8;1-13-7-5-3-2-4-6(7)12-9(13)8(10)11;1-7-10-8-5-3-4-6-9(8)11(7)2;1-7-2-3-8-5-10-6-9(8)4-7;1-7-2-3-9-8(6-7)4-5-10-9;1-7-3-2-4-9-8(7)5-6-10-9;1-7-3-2-4-8-5-6-10-9(7)8;1-11-7-5-3-2-4-6(7)10-8(11)9;1-6-2-3-8-7(4-6)5-9-10-8;1-6-3-2-4-7-8(6)10-5-9-7;1-6-3-2-4-7-5-9-10-8(6)7;1-10-6-9-7-4-2-3-5-8(7)10;1-10-8-5-3-2-4-7(8)6-9-10;1-10-5-9-6-4-8-3-2-7(6)10;1-10-5-9-6-2-3-8-4-7(6)10;1-10-5-9-7-6(10)3-2-4-8-7;1-5-4-6(8)2-3-7(5)9;1-5-2-3-6(8)4-7(5)9;1-5-2-3-6(8)7(9)4-5;2*1-6-3-2-4-7(8)5-6/h2-3,5-7H,4H2,1H3;2-5,8H,1H3;3-6H,1-2H3;2-5H,6H2,1H3;3*2-6,10H,1H3;2-5H,1H3;3*2-5H,1H3,(H,9,10);2*2-6H,1H3;3*2-5H,1H3;3*2-4,9H,8H2,1H3;2-5H,8H2,1H3;2-5,8H,1H3
• InChIKey: HXGMRALEAIJAKX-UHFFFAOYSA-N
• XLogP: 37.33
• TPSA: 512.00 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 31
• Rotatable Bonds: 1
• Heavy Atoms: 208
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2794.93
LogP ≤ 5	37.33
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methylphenol;4-amino-2-methylphenol;5-amino-2-methylphenol;2-chloro-1-methylbenzimidazole;2-(difluoromethyl)-1-methylbenzimidazole;1,2-dimethylbenzimidazole;3-methylaniline;1-methylbenzimidazole;4-methyl-1H-benzimidazole;1-methylimidazo[4,5-b]pyridine;1-methylimidazo[4,5-c]pyridine;3-methylimidazo[4,5-c]pyridine;1-methylindazole;5-methyl-1H-indazole;7-methyl-1H-indazole;6-methyl-1H-indene;4-methyl-1H-indole;5-methyl-1H-indole;7-methyl-1H-indole;6-methyl-1H-isoindole;3-methylphenol?

The IUPAC name of 2-amino-5-methylphenol;4-amino-2-methylphenol;5-amino-2-methylphenol;2-chloro-1-methylbenzimidazole;2-(difluoromethyl)-1-methylbenzimidazole;1,2-dimethylbenzimidazole;3-methylaniline;1-methylbenzimidazole;4-methyl-1H-benzimidazole;1-methylimidazo[4,5-b]pyridine;1-methylimidazo[4,5-c]pyridine;3-methylimidazo[4,5-c]pyridine;1-methylindazole;5-methyl-1H-indazole;7-methyl-1H-indazole;6-methyl-1H-indene;4-methyl-1H-indole;5-methyl-1H-indole;7-methyl-1H-indole;6-methyl-1H-isoindole;3-methylphenol (CID 158614824) is 2-amino-5-methylphenol;4-amino-2-methylphenol;5-amino-2-methylphenol;2-chloro-1-methylbenzimidazole;2-(difluoromethyl)-1-methylbenzimidazole;1,2-dimethylbenzimidazole;3-methylaniline;1-methylbenzimidazole;4-methyl-1H-benzimidazole;1-methylimidazo[4,5-b]pyridine;1-methylimidazo[4,5-c]pyridine;3-methylimidazo[4,5-c]pyridine;1-methylindazole;5-methyl-1H-indazole;7-methyl-1H-indazole;6-methyl-1H-indene;4-methyl-1H-indole;5-methyl-1H-indole;7-methyl-1H-indole;6-methyl-1H-isoindole;3-methylphenol.

What is the SMILES notation for 2-amino-5-methylphenol;4-amino-2-methylphenol;5-amino-2-methylphenol;2-chloro-1-methylbenzimidazole;2-(difluoromethyl)-1-methylbenzimidazole;1,2-dimethylbenzimidazole;3-methylaniline;1-methylbenzimidazole;4-methyl-1H-benzimidazole;1-methylimidazo[4,5-b]pyridine;1-methylimidazo[4,5-c]pyridine;3-methylimidazo[4,5-c]pyridine;1-methylindazole;5-methyl-1H-indazole;7-methyl-1H-indazole;6-methyl-1H-indene;4-methyl-1H-indole;5-methyl-1H-indole;7-methyl-1H-indole;6-methyl-1H-isoindole;3-methylphenol?

The canonical SMILES for 2-amino-5-methylphenol;4-amino-2-methylphenol;5-amino-2-methylphenol;2-chloro-1-methylbenzimidazole;2-(difluoromethyl)-1-methylbenzimidazole;1,2-dimethylbenzimidazole;3-methylaniline;1-methylbenzimidazole;4-methyl-1H-benzimidazole;1-methylimidazo[4,5-b]pyridine;1-methylimidazo[4,5-c]pyridine;3-methylimidazo[4,5-c]pyridine;1-methylindazole;5-methyl-1H-indazole;7-methyl-1H-indazole;6-methyl-1H-indene;4-methyl-1H-indole;5-methyl-1H-indole;7-methyl-1H-indole;6-methyl-1H-isoindole;3-methylphenol is Cc1cc(N)ccc1O.Cc1ccc(N)c(O)c1.Cc1ccc(N)cc1O.Cc1ccc2[nH]ccc2c1.Cc1ccc2[nH]ncc2c1.Cc1ccc2c(c1)CC=C2.Cc1ccc2c(c1)CN=C2.Cc1cccc(N)c1.Cc1cccc(O)c1.Cc1cccc2[nH]ccc12.Cc1cccc2[nH]cnc12.Cc1cccc2cc[nH]c12.Cc1cccc2cn[nH]c12.Cc1nc2ccccc2n1C.Cn1c(C(F)F)nc2ccccc21.Cn1c(Cl)nc2ccccc21.Cn1cnc2ccccc21.Cn1cnc2ccncc21.Cn1cnc2cnccc21.Cn1cnc2ncccc21.Cn1ncc2ccccc21.

What is the InChIKey of 2-amino-5-methylphenol;4-amino-2-methylphenol;5-amino-2-methylphenol;2-chloro-1-methylbenzimidazole;2-(difluoromethyl)-1-methylbenzimidazole;1,2-dimethylbenzimidazole;3-methylaniline;1-methylbenzimidazole;4-methyl-1H-benzimidazole;1-methylimidazo[4,5-b]pyridine;1-methylimidazo[4,5-c]pyridine;3-methylimidazo[4,5-c]pyridine;1-methylindazole;5-methyl-1H-indazole;7-methyl-1H-indazole;6-methyl-1H-indene;4-methyl-1H-indole;5-methyl-1H-indole;7-methyl-1H-indole;6-methyl-1H-isoindole;3-methylphenol?

The InChIKey is HXGMRALEAIJAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10.C9H8F2N2.C9H10N2.4C9H9N.C8H7ClN2.5C8H8N2.3C7H7N3.3C7H9NO.C7H9N.C7H8O/c1-8-5-6-9-3-2-4-10(9)7-8;1-13-7-5-3-2-4-6(7)12-9(13)8(10)11;1-7-10-8-5-3-4-6-9(8)11(7)2;1-7-2-3-8-5-10-6-9(8)4-7;1-7-2-3-9-8(6-7)4-5-10-9;1-7-3-2-4-9-8(7)5-6-10-9;1-7-3-2-4-8-5-6-10-9(7)8;1-11-7-5-3-2-4-6(7)10-8(11)9;1-6-2-3-8-7(4-6)5-9-10-8;1-6-3-2-4-7-8(6)10-5-9-7;1-6-3-2-4-7-5-9-10-8(6)7;1-10-6-9-7-4-2-3-5-8(7)10;1-10-8-5-3-2-4-7(8)6-9-10;1-10-5-9-6-4-8-3-2-7(6)10;1-10-5-9-6-2-3-8-4-7(6)10;1-10-5-9-7-6(10)3-2-4-8-7;1-5-4-6(8)2-3-7(5)9;1-5-2-3-6(8)4-7(5)9;1-5-2-3-6(8)7(9)4-5;2*1-6-3-2-4-7(8)5-6/h2-3,5-7H,4H2,1H3;2-5,8H,1H3;3-6H,1-2H3;2-5H,6H2,1H3;3*2-6,10H,1H3;2-5H,1H3;3*2-5H,1H3,(H,9,10);2*2-6H,1H3;3*2-5H,1H3;3*2-4,9H,8H2,1H3;2-5H,8H2,1H3;2-5,8H,1H3.

What are the key properties of 2-amino-5-methylphenol;4-amino-2-methylphenol;5-amino-2-methylphenol;2-chloro-1-methylbenzimidazole;2-(difluoromethyl)-1-methylbenzimidazole;1,2-dimethylbenzimidazole;3-methylaniline;1-methylbenzimidazole;4-methyl-1H-benzimidazole;1-methylimidazo[4,5-b]pyridine;1-methylimidazo[4,5-c]pyridine;3-methylimidazo[4,5-c]pyridine;1-methylindazole;5-methyl-1H-indazole;7-methyl-1H-indazole;6-methyl-1H-indene;4-methyl-1H-indole;5-methyl-1H-indole;7-methyl-1H-indole;6-methyl-1H-isoindole;3-methylphenol?

2-amino-5-methylphenol;4-amino-2-methylphenol;5-amino-2-methylphenol;2-chloro-1-methylbenzimidazole;2-(difluoromethyl)-1-methylbenzimidazole;1,2-dimethylbenzimidazole;3-methylaniline;1-methylbenzimidazole;4-methyl-1H-benzimidazole;1-methylimidazo[4,5-b]pyridine;1-methylimidazo[4,5-c]pyridine;3-methylimidazo[4,5-c]pyridine;1-methylindazole;5-methyl-1H-indazole;7-methyl-1H-indazole;6-methyl-1H-indene;4-methyl-1H-indole;5-methyl-1H-indole;7-methyl-1H-indole;6-methyl-1H-isoindole;3-methylphenol has a molecular weight of 2794.93 g/mol, XLogP of 37.33, 1 rotatable bonds, 14 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-5-methylphenol;4-amino-2-methylphenol;5-amino-2-methylphenol;2-chloro-1-methylbenzimidazole;2-(difluoromethyl)-1-methylbenzimidazole;1,2-dimethylbenzimidazole;3-methylaniline;1-methylbenzimidazole;4-methyl-1H-benzimidazole;1-methylimidazo[4,5-b]pyridine;1-methylimidazo[4,5-c]pyridine;3-methylimidazo[4,5-c]pyridine;1-methylindazole;5-methyl-1H-indazole;7-methyl-1H-indazole;6-methyl-1H-indene;4-methyl-1H-indole;5-methyl-1H-indole;7-methyl-1H-indole;6-methyl-1H-isoindole;3-methylphenol is sourced from PubChem (CID 158614824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).