lithium;3-(2,6-dimethoxy-4-methylphenyl)benzoyl chloride;2-[5-[2-[2-[3-(2,6-dimethoxy-4-methylphenyl)phenyl]-2-oxoethyl]phenyl]thiophen-2-yl]acetic acid;1-[5-[2-[2-[3-(2,6-dimethoxy-4-methylphenyl)phenyl]-2-oxoethyl]phenyl]thiophen-2-yl]propan-2-one;methyl 2-[5-(2-aminophenyl)thiophen-2-yl]acetate;2-[5-[2-[2-oxo-2-[3-(2,4,6-trihydroxyphenyl)phenyl]ethyl]phenyl]thiophen-2-yl]acetic acid;hydroxide

C114H103ClLiNO21S4 — CID 158198466

About lithium;3-(2,6-dimethoxy-4-methylphenyl)benzoyl chloride;2-[5-[2-[2-[3-(2,6-dimethoxy-4-methylphenyl)phenyl]-2-oxoethyl]phenyl]thiophen-2-yl]acetic acid;1-[5-[2-[2-[3-(2,6-dimethoxy-4-methylphenyl)phenyl]-2-oxoethyl]phenyl]thiophen-2-yl]propan-2-one;methyl 2-[5-(2-aminophenyl)thiophen-2-yl]acetate;2-[5-[2-[2-oxo-2-[3-(2,4,6-trihydroxyphenyl)phenyl]ethyl]phenyl]thiophen-2-yl]acetic acid;hydroxide

lithium;3-(2,6-dimethoxy-4-methylphenyl)benzoyl chloride;2-[5-[2-[2-[3-(2,6-dimethoxy-4-methylphenyl)phenyl]-2-oxoethyl]phenyl]thiophen-2-yl]acetic acid;1-[5-[2-[2-[3-(2,6-dimethoxy-4-methylphenyl)phenyl]-2-oxoethyl]phenyl]thiophen-2-yl]propan-2-one;methyl 2-[5-(2-aminophenyl)thiophen-2-yl]acetate;2-[5-[2-[2-oxo-2-[3-(2,4,6-trihydroxyphenyl)phenyl]ethyl]phenyl]thiophen-2-yl]acetic acid;hydroxide (PubChem CID 158198466) has the molecular formula C114H103ClLiNO21S4 and a molecular weight of 1993.73 g/mol. Its IUPAC name is lithium;3-(2,6-dimethoxy-4-methylphenyl)benzoyl chloride;2-[5-[2-[2-[3-(2,6-dimethoxy-4-methylphenyl)phenyl]-2-oxoethyl]phenyl]thiophen-2-yl]acetic acid;1-[5-[2-[2-[3-(2,6-dimethoxy-4-methylphenyl)phenyl]-2-oxoethyl]phenyl]thiophen-2-yl]propan-2-one;methyl 2-[5-(2-aminophenyl)thiophen-2-yl]acetate;2-[5-[2-[2-oxo-2-[3-(2,4,6-trihydroxyphenyl)phenyl]ethyl]phenyl]thiophen-2-yl]acetic acid;hydroxide.

Molecular Properties

• Compound Name: lithium;3-(2,6-dimethoxy-4-methylphenyl)benzoyl chloride;2-[5-[2-[2-[3-(2,6-dimethoxy-4-methylphenyl)phenyl]-2-oxoethyl]phenyl]thiophen-2-yl]acetic acid;1-[5-[2-[2-[3-(2,6-dimethoxy-4-methylphenyl)phenyl]-2-oxoethyl]phenyl]thiophen-2-yl]propan-2-one;methyl 2-[5-(2-aminophenyl)thiophen-2-yl]acetate;2-[5-[2-[2-oxo-2-[3-(2,4,6-trihydroxyphenyl)phenyl]ethyl]phenyl]thiophen-2-yl]acetic acid;hydroxide
• PubChem CID: 158198466
• Molecular Formula: C114H103ClLiNO21S4
• Molecular Weight: 1993.73 g/mol
• Exact Mass: 1991.58
• IUPAC Name: lithium;3-(2,6-dimethoxy-4-methylphenyl)benzoyl chloride;2-[5-[2-[2-[3-(2,6-dimethoxy-4-methylphenyl)phenyl]-2-oxoethyl]phenyl]thiophen-2-yl]acetic acid;1-[5-[2-[2-[3-(2,6-dimethoxy-4-methylphenyl)phenyl]-2-oxoethyl]phenyl]thiophen-2-yl]propan-2-one;methyl 2-[5-(2-aminophenyl)thiophen-2-yl]acetate;2-[5-[2-[2-oxo-2-[3-(2,4,6-trihydroxyphenyl)phenyl]ethyl]phenyl]thiophen-2-yl]acetic acid;hydroxide
• SMILES: COC(=O)Cc1ccc(-c2ccccc2N)s1.COc1cc(C)cc(OC)c1-c1cccc(C(=O)Cc2ccccc2-c2ccc(CC(=O)O)s2)c1.COc1cc(C)cc(OC)c1-c1cccc(C(=O)Cc2ccccc2-c2ccc(CC(C)=O)s2)c1.COc1cc(C)cc(OC)c1-c1cccc(C(=O)Cl)c1.O=C(O)Cc1ccc(-c2ccccc2CC(=O)c2cccc(-c3c(O)cc(O)cc3O)c2)s1.[Li+].[OH-]
• InChI: InChI=1S/C30H28O4S.C29H26O5S.C26H20O6S.C16H15ClO3.C13H13NO2S.Li.H2O/c1-19-14-27(33-3)30(28(15-19)34-4)23-10-7-9-22(17-23)26(32)18-21-8-5-6-11-25(21)29-13-12-24(35-29)16-20(2)31;1-18-13-25(33-2)29(26(14-18)34-3)21-9-6-8-20(15-21)24(30)16-19-7-4-5-10-23(19)27-12-11-22(35-27)17-28(31)32;27-18-12-22(29)26(23(30)13-18)17-6-3-5-16(10-17)21(28)11-15-4-1-2-7-20(15)24-9-8-19(33-24)14-25(31)32;1-10-7-13(19-2)15(14(8-10)20-3)11-5-4-6-12(9-11)16(17)18;1-16-13(15)8-9-6-7-12(17-9)10-4-2-3-5-11(10)14;;/h5-15,17H,16,18H2,1-4H3;4-15H,16-17H2,1-3H3,(H,31,32);1-10,12-13,27,29-30H,11,14H2,(H,31,32);4-9H,1-3H3;2-7H,8,14H2,1H3;;1H2/q;;;;;+1;/p-1
• InChIKey: GAQBDMABPWEDLM-UHFFFAOYSA-M
• XLogP: 22.27
• TPSA: 358.34 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 32
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1993.73
LogP ≤ 5	22.27
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of lithium;3-(2,6-dimethoxy-4-methylphenyl)benzoyl chloride;2-[5-[2-[2-[3-(2,6-dimethoxy-4-methylphenyl)phenyl]-2-oxoethyl]phenyl]thiophen-2-yl]acetic acid;1-[5-[2-[2-[3-(2,6-dimethoxy-4-methylphenyl)phenyl]-2-oxoethyl]phenyl]thiophen-2-yl]propan-2-one;methyl 2-[5-(2-aminophenyl)thiophen-2-yl]acetate;2-[5-[2-[2-oxo-2-[3-(2,4,6-trihydroxyphenyl)phenyl]ethyl]phenyl]thiophen-2-yl]acetic acid;hydroxide?

The IUPAC name of lithium;3-(2,6-dimethoxy-4-methylphenyl)benzoyl chloride;2-[5-[2-[2-[3-(2,6-dimethoxy-4-methylphenyl)phenyl]-2-oxoethyl]phenyl]thiophen-2-yl]acetic acid;1-[5-[2-[2-[3-(2,6-dimethoxy-4-methylphenyl)phenyl]-2-oxoethyl]phenyl]thiophen-2-yl]propan-2-one;methyl 2-[5-(2-aminophenyl)thiophen-2-yl]acetate;2-[5-[2-[2-oxo-2-[3-(2,4,6-trihydroxyphenyl)phenyl]ethyl]phenyl]thiophen-2-yl]acetic acid;hydroxide (CID 158198466) is lithium;3-(2,6-dimethoxy-4-methylphenyl)benzoyl chloride;2-[5-[2-[2-[3-(2,6-dimethoxy-4-methylphenyl)phenyl]-2-oxoethyl]phenyl]thiophen-2-yl]acetic acid;1-[5-[2-[2-[3-(2,6-dimethoxy-4-methylphenyl)phenyl]-2-oxoethyl]phenyl]thiophen-2-yl]propan-2-one;methyl 2-[5-(2-aminophenyl)thiophen-2-yl]acetate;2-[5-[2-[2-oxo-2-[3-(2,4,6-trihydroxyphenyl)phenyl]ethyl]phenyl]thiophen-2-yl]acetic acid;hydroxide.

What is the SMILES notation for lithium;3-(2,6-dimethoxy-4-methylphenyl)benzoyl chloride;2-[5-[2-[2-[3-(2,6-dimethoxy-4-methylphenyl)phenyl]-2-oxoethyl]phenyl]thiophen-2-yl]acetic acid;1-[5-[2-[2-[3-(2,6-dimethoxy-4-methylphenyl)phenyl]-2-oxoethyl]phenyl]thiophen-2-yl]propan-2-one;methyl 2-[5-(2-aminophenyl)thiophen-2-yl]acetate;2-[5-[2-[2-oxo-2-[3-(2,4,6-trihydroxyphenyl)phenyl]ethyl]phenyl]thiophen-2-yl]acetic acid;hydroxide?

The canonical SMILES for lithium;3-(2,6-dimethoxy-4-methylphenyl)benzoyl chloride;2-[5-[2-[2-[3-(2,6-dimethoxy-4-methylphenyl)phenyl]-2-oxoethyl]phenyl]thiophen-2-yl]acetic acid;1-[5-[2-[2-[3-(2,6-dimethoxy-4-methylphenyl)phenyl]-2-oxoethyl]phenyl]thiophen-2-yl]propan-2-one;methyl 2-[5-(2-aminophenyl)thiophen-2-yl]acetate;2-[5-[2-[2-oxo-2-[3-(2,4,6-trihydroxyphenyl)phenyl]ethyl]phenyl]thiophen-2-yl]acetic acid;hydroxide is COC(=O)Cc1ccc(-c2ccccc2N)s1.COc1cc(C)cc(OC)c1-c1cccc(C(=O)Cc2ccccc2-c2ccc(CC(=O)O)s2)c1.COc1cc(C)cc(OC)c1-c1cccc(C(=O)Cc2ccccc2-c2ccc(CC(C)=O)s2)c1.COc1cc(C)cc(OC)c1-c1cccc(C(=O)Cl)c1.O=C(O)Cc1ccc(-c2ccccc2CC(=O)c2cccc(-c3c(O)cc(O)cc3O)c2)s1.[Li+].[OH-].

What is the InChIKey of lithium;3-(2,6-dimethoxy-4-methylphenyl)benzoyl chloride;2-[5-[2-[2-[3-(2,6-dimethoxy-4-methylphenyl)phenyl]-2-oxoethyl]phenyl]thiophen-2-yl]acetic acid;1-[5-[2-[2-[3-(2,6-dimethoxy-4-methylphenyl)phenyl]-2-oxoethyl]phenyl]thiophen-2-yl]propan-2-one;methyl 2-[5-(2-aminophenyl)thiophen-2-yl]acetate;2-[5-[2-[2-oxo-2-[3-(2,4,6-trihydroxyphenyl)phenyl]ethyl]phenyl]thiophen-2-yl]acetic acid;hydroxide?

The InChIKey is GAQBDMABPWEDLM-UHFFFAOYSA-M. The full InChI is InChI=1S/C30H28O4S.C29H26O5S.C26H20O6S.C16H15ClO3.C13H13NO2S.Li.H2O/c1-19-14-27(33-3)30(28(15-19)34-4)23-10-7-9-22(17-23)26(32)18-21-8-5-6-11-25(21)29-13-12-24(35-29)16-20(2)31;1-18-13-25(33-2)29(26(14-18)34-3)21-9-6-8-20(15-21)24(30)16-19-7-4-5-10-23(19)27-12-11-22(35-27)17-28(31)32;27-18-12-22(29)26(23(30)13-18)17-6-3-5-16(10-17)21(28)11-15-4-1-2-7-20(15)24-9-8-19(33-24)14-25(31)32;1-10-7-13(19-2)15(14(8-10)20-3)11-5-4-6-12(9-11)16(17)18;1-16-13(15)8-9-6-7-12(17-9)10-4-2-3-5-11(10)14;;/h5-15,17H,16,18H2,1-4H3;4-15H,16-17H2,1-3H3,(H,31,32);1-10,12-13,27,29-30H,11,14H2,(H,31,32);4-9H,1-3H3;2-7H,8,14H2,1H3;;1H2/q;;;;;+1;/p-1.

What are the key properties of lithium;3-(2,6-dimethoxy-4-methylphenyl)benzoyl chloride;2-[5-[2-[2-[3-(2,6-dimethoxy-4-methylphenyl)phenyl]-2-oxoethyl]phenyl]thiophen-2-yl]acetic acid;1-[5-[2-[2-[3-(2,6-dimethoxy-4-methylphenyl)phenyl]-2-oxoethyl]phenyl]thiophen-2-yl]propan-2-one;methyl 2-[5-(2-aminophenyl)thiophen-2-yl]acetate;2-[5-[2-[2-oxo-2-[3-(2,4,6-trihydroxyphenyl)phenyl]ethyl]phenyl]thiophen-2-yl]acetic acid;hydroxide?

lithium;3-(2,6-dimethoxy-4-methylphenyl)benzoyl chloride;2-[5-[2-[2-[3-(2,6-dimethoxy-4-methylphenyl)phenyl]-2-oxoethyl]phenyl]thiophen-2-yl]acetic acid;1-[5-[2-[2-[3-(2,6-dimethoxy-4-methylphenyl)phenyl]-2-oxoethyl]phenyl]thiophen-2-yl]propan-2-one;methyl 2-[5-(2-aminophenyl)thiophen-2-yl]acetate;2-[5-[2-[2-oxo-2-[3-(2,4,6-trihydroxyphenyl)phenyl]ethyl]phenyl]thiophen-2-yl]acetic acid;hydroxide has a molecular weight of 1993.73 g/mol, XLogP of 22.27, 32 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;3-(2,6-dimethoxy-4-methylphenyl)benzoyl chloride;2-[5-[2-[2-[3-(2,6-dimethoxy-4-methylphenyl)phenyl]-2-oxoethyl]phenyl]thiophen-2-yl]acetic acid;1-[5-[2-[2-[3-(2,6-dimethoxy-4-methylphenyl)phenyl]-2-oxoethyl]phenyl]thiophen-2-yl]propan-2-one;methyl 2-[5-(2-aminophenyl)thiophen-2-yl]acetate;2-[5-[2-[2-oxo-2-[3-(2,4,6-trihydroxyphenyl)phenyl]ethyl]phenyl]thiophen-2-yl]acetic acid;hydroxide is sourced from PubChem (CID 158198466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).