1H-indol-3-yl-(2-methoxyphenyl)methanone;1H-indol-3-yl-(3-methoxyphenyl)methanone;1H-indol-3-yl-(4-methoxyphenyl)methanone;methyl 2-(1H-indole-3-carbonyl)benzoate;methyl 4-(1H-indole-3-carbonyl)benzoate;(1-methylindol-3-yl)-phenylmethanone

C98H78N6O13 — CID 158570251

About 1H-indol-3-yl-(2-methoxyphenyl)methanone;1H-indol-3-yl-(3-methoxyphenyl)methanone;1H-indol-3-yl-(4-methoxyphenyl)methanone;methyl 2-(1H-indole-3-carbonyl)benzoate;methyl 4-(1H-indole-3-carbonyl)benzoate;(1-methylindol-3-yl)-phenylmethanone

1H-indol-3-yl-(2-methoxyphenyl)methanone;1H-indol-3-yl-(3-methoxyphenyl)methanone;1H-indol-3-yl-(4-methoxyphenyl)methanone;methyl 2-(1H-indole-3-carbonyl)benzoate;methyl 4-(1H-indole-3-carbonyl)benzoate;(1-methylindol-3-yl)-phenylmethanone (PubChem CID 158570251) has the molecular formula C98H78N6O13 and a molecular weight of 1547.73 g/mol. Its IUPAC name is 1H-indol-3-yl-(2-methoxyphenyl)methanone;1H-indol-3-yl-(3-methoxyphenyl)methanone;1H-indol-3-yl-(4-methoxyphenyl)methanone;methyl 2-(1H-indole-3-carbonyl)benzoate;methyl 4-(1H-indole-3-carbonyl)benzoate;(1-methylindol-3-yl)-phenylmethanone.

Molecular Properties

• Compound Name: 1H-indol-3-yl-(2-methoxyphenyl)methanone;1H-indol-3-yl-(3-methoxyphenyl)methanone;1H-indol-3-yl-(4-methoxyphenyl)methanone;methyl 2-(1H-indole-3-carbonyl)benzoate;methyl 4-(1H-indole-3-carbonyl)benzoate;(1-methylindol-3-yl)-phenylmethanone
• PubChem CID: 158570251
• Molecular Formula: C98H78N6O13
• Molecular Weight: 1547.73 g/mol
• Exact Mass: 1546.56
• IUPAC Name: 1H-indol-3-yl-(2-methoxyphenyl)methanone;1H-indol-3-yl-(3-methoxyphenyl)methanone;1H-indol-3-yl-(4-methoxyphenyl)methanone;methyl 2-(1H-indole-3-carbonyl)benzoate;methyl 4-(1H-indole-3-carbonyl)benzoate;(1-methylindol-3-yl)-phenylmethanone
• SMILES: COC(=O)c1ccc(C(=O)c2c[nH]c3ccccc23)cc1.COC(=O)c1ccccc1C(=O)c1c[nH]c2ccccc12.COc1ccc(C(=O)c2c[nH]c3ccccc23)cc1.COc1cccc(C(=O)c2c[nH]c3ccccc23)c1.COc1ccccc1C(=O)c1c[nH]c2ccccc12.Cn1cc(C(=O)c2ccccc2)c2ccccc21
• InChI: InChI=1S/2C17H13NO3.3C16H13NO2.C16H13NO/c1-21-17(20)13-8-3-2-7-12(13)16(19)14-10-18-15-9-5-4-6-11(14)15;1-21-17(20)12-8-6-11(7-9-12)16(19)14-10-18-15-5-3-2-4-13(14)15;1-19-15-9-5-3-7-12(15)16(18)13-10-17-14-8-4-2-6-11(13)14;1-19-12-6-4-5-11(9-12)16(18)14-10-17-15-8-3-2-7-13(14)15;1-19-12-8-6-11(7-9-12)16(18)14-10-17-15-5-3-2-4-13(14)15;1-17-11-14(13-9-5-6-10-15(13)17)16(18)12-7-3-2-4-8-12/h2*2-10,18H,1H3;3*2-10,17H,1H3;2-11H,1H3
• InChIKey: HRZKJMJIPSMDIF-UHFFFAOYSA-N
• XLogP: 20.00
• TPSA: 266.59 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 14
• Rotatable Bonds: 17
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1547.73
LogP ≤ 5	20.00
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 1H-indol-3-yl-(2-methoxyphenyl)methanone;1H-indol-3-yl-(3-methoxyphenyl)methanone;1H-indol-3-yl-(4-methoxyphenyl)methanone;methyl 2-(1H-indole-3-carbonyl)benzoate;methyl 4-(1H-indole-3-carbonyl)benzoate;(1-methylindol-3-yl)-phenylmethanone?

The IUPAC name of 1H-indol-3-yl-(2-methoxyphenyl)methanone;1H-indol-3-yl-(3-methoxyphenyl)methanone;1H-indol-3-yl-(4-methoxyphenyl)methanone;methyl 2-(1H-indole-3-carbonyl)benzoate;methyl 4-(1H-indole-3-carbonyl)benzoate;(1-methylindol-3-yl)-phenylmethanone (CID 158570251) is 1H-indol-3-yl-(2-methoxyphenyl)methanone;1H-indol-3-yl-(3-methoxyphenyl)methanone;1H-indol-3-yl-(4-methoxyphenyl)methanone;methyl 2-(1H-indole-3-carbonyl)benzoate;methyl 4-(1H-indole-3-carbonyl)benzoate;(1-methylindol-3-yl)-phenylmethanone.

What is the SMILES notation for 1H-indol-3-yl-(2-methoxyphenyl)methanone;1H-indol-3-yl-(3-methoxyphenyl)methanone;1H-indol-3-yl-(4-methoxyphenyl)methanone;methyl 2-(1H-indole-3-carbonyl)benzoate;methyl 4-(1H-indole-3-carbonyl)benzoate;(1-methylindol-3-yl)-phenylmethanone?

The canonical SMILES for 1H-indol-3-yl-(2-methoxyphenyl)methanone;1H-indol-3-yl-(3-methoxyphenyl)methanone;1H-indol-3-yl-(4-methoxyphenyl)methanone;methyl 2-(1H-indole-3-carbonyl)benzoate;methyl 4-(1H-indole-3-carbonyl)benzoate;(1-methylindol-3-yl)-phenylmethanone is COC(=O)c1ccc(C(=O)c2c[nH]c3ccccc23)cc1.COC(=O)c1ccccc1C(=O)c1c[nH]c2ccccc12.COc1ccc(C(=O)c2c[nH]c3ccccc23)cc1.COc1cccc(C(=O)c2c[nH]c3ccccc23)c1.COc1ccccc1C(=O)c1c[nH]c2ccccc12.Cn1cc(C(=O)c2ccccc2)c2ccccc21.

What is the InChIKey of 1H-indol-3-yl-(2-methoxyphenyl)methanone;1H-indol-3-yl-(3-methoxyphenyl)methanone;1H-indol-3-yl-(4-methoxyphenyl)methanone;methyl 2-(1H-indole-3-carbonyl)benzoate;methyl 4-(1H-indole-3-carbonyl)benzoate;(1-methylindol-3-yl)-phenylmethanone?

The InChIKey is HRZKJMJIPSMDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H13NO3.3C16H13NO2.C16H13NO/c1-21-17(20)13-8-3-2-7-12(13)16(19)14-10-18-15-9-5-4-6-11(14)15;1-21-17(20)12-8-6-11(7-9-12)16(19)14-10-18-15-5-3-2-4-13(14)15;1-19-15-9-5-3-7-12(15)16(18)13-10-17-14-8-4-2-6-11(13)14;1-19-12-6-4-5-11(9-12)16(18)14-10-17-15-8-3-2-7-13(14)15;1-19-12-8-6-11(7-9-12)16(18)14-10-17-15-5-3-2-4-13(14)15;1-17-11-14(13-9-5-6-10-15(13)17)16(18)12-7-3-2-4-8-12/h2*2-10,18H,1H3;3*2-10,17H,1H3;2-11H,1H3.

What are the key properties of 1H-indol-3-yl-(2-methoxyphenyl)methanone;1H-indol-3-yl-(3-methoxyphenyl)methanone;1H-indol-3-yl-(4-methoxyphenyl)methanone;methyl 2-(1H-indole-3-carbonyl)benzoate;methyl 4-(1H-indole-3-carbonyl)benzoate;(1-methylindol-3-yl)-phenylmethanone?

1H-indol-3-yl-(2-methoxyphenyl)methanone;1H-indol-3-yl-(3-methoxyphenyl)methanone;1H-indol-3-yl-(4-methoxyphenyl)methanone;methyl 2-(1H-indole-3-carbonyl)benzoate;methyl 4-(1H-indole-3-carbonyl)benzoate;(1-methylindol-3-yl)-phenylmethanone has a molecular weight of 1547.73 g/mol, XLogP of 20.00, 17 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1H-indol-3-yl-(2-methoxyphenyl)methanone;1H-indol-3-yl-(3-methoxyphenyl)methanone;1H-indol-3-yl-(4-methoxyphenyl)methanone;methyl 2-(1H-indole-3-carbonyl)benzoate;methyl 4-(1H-indole-3-carbonyl)benzoate;(1-methylindol-3-yl)-phenylmethanone is sourced from PubChem (CID 158570251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).