lithium;2,3-dihydro-1H-inden-2-ol;3-[4-(2,3-dihydro-1H-inden-2-yloxy)phenyl]-3-thiophen-2-ylpropanoic acid;bis(methyl 3-[4-(2,3-dihydro-1H-inden-2-yloxy)phenyl]-3-thiophen-2-ylpropanoate);methyl 3-(4-hydroxyphenyl)-3-thiophen-2-ylpropanoate;hydroxide

C91H89LiO14S4 — CID 162165413

About lithium;2,3-dihydro-1H-inden-2-ol;3-[4-(2,3-dihydro-1H-inden-2-yloxy)phenyl]-3-thiophen-2-ylpropanoic acid;bis(methyl 3-[4-(2,3-dihydro-1H-inden-2-yloxy)phenyl]-3-thiophen-2-ylpropanoate);methyl 3-(4-hydroxyphenyl)-3-thiophen-2-ylpropanoate;hydroxide

lithium;2,3-dihydro-1H-inden-2-ol;3-[4-(2,3-dihydro-1H-inden-2-yloxy)phenyl]-3-thiophen-2-ylpropanoic acid;bis(methyl 3-[4-(2,3-dihydro-1H-inden-2-yloxy)phenyl]-3-thiophen-2-ylpropanoate);methyl 3-(4-hydroxyphenyl)-3-thiophen-2-ylpropanoate;hydroxide (PubChem CID 162165413) has the molecular formula C91H89LiO14S4 and a molecular weight of 1541.91 g/mol. Its IUPAC name is lithium;2,3-dihydro-1H-inden-2-ol;3-[4-(2,3-dihydro-1H-inden-2-yloxy)phenyl]-3-thiophen-2-ylpropanoic acid;bis(methyl 3-[4-(2,3-dihydro-1H-inden-2-yloxy)phenyl]-3-thiophen-2-ylpropanoate);methyl 3-(4-hydroxyphenyl)-3-thiophen-2-ylpropanoate;hydroxide.

Molecular Properties

• Compound Name: lithium;2,3-dihydro-1H-inden-2-ol;3-[4-(2,3-dihydro-1H-inden-2-yloxy)phenyl]-3-thiophen-2-ylpropanoic acid;bis(methyl 3-[4-(2,3-dihydro-1H-inden-2-yloxy)phenyl]-3-thiophen-2-ylpropanoate);methyl 3-(4-hydroxyphenyl)-3-thiophen-2-ylpropanoate;hydroxide
• PubChem CID: 162165413
• Molecular Formula: C91H89LiO14S4
• Molecular Weight: 1541.91 g/mol
• Exact Mass: 1540.53
• IUPAC Name: lithium;2,3-dihydro-1H-inden-2-ol;3-[4-(2,3-dihydro-1H-inden-2-yloxy)phenyl]-3-thiophen-2-ylpropanoic acid;bis(methyl 3-[4-(2,3-dihydro-1H-inden-2-yloxy)phenyl]-3-thiophen-2-ylpropanoate);methyl 3-(4-hydroxyphenyl)-3-thiophen-2-ylpropanoate;hydroxide
• SMILES: COC(=O)CC(c1ccc(O)cc1)c1cccs1.COC(=O)CC(c1ccc(OC2Cc3ccccc3C2)cc1)c1cccs1.COC(=O)CC(c1ccc(OC2Cc3ccccc3C2)cc1)c1cccs1.O=C(O)CC(c1ccc(OC2Cc3ccccc3C2)cc1)c1cccs1.OC1Cc2ccccc2C1.[Li+].[OH-]
• InChI: InChI=1S/2C23H22O3S.C22H20O3S.C14H14O3S.C9H10O.Li.H2O/c2*1-25-23(24)15-21(22-7-4-12-27-22)16-8-10-19(11-9-16)26-20-13-17-5-2-3-6-18(17)14-20;23-22(24)14-20(21-6-3-11-26-21)15-7-9-18(10-8-15)25-19-12-16-4-1-2-5-17(16)13-19;1-17-14(16)9-12(13-3-2-8-18-13)10-4-6-11(15)7-5-10;10-9-5-7-3-1-2-4-8(7)6-9;;/h2*2-12,20-21H,13-15H2,1H3;1-11,19-20H,12-14H2,(H,23,24);2-8,12,15H,9H2,1H3;1-4,9-10H,5-6H2;;1H2/q;;;;;+1;/p-1
• InChIKey: ZNBBYDXATXVYBQ-UHFFFAOYSA-M
• XLogP: 16.00
• TPSA: 214.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 22
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1541.91
LogP ≤ 5	16.00
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;2,3-dihydro-1H-inden-2-ol;3-[4-(2,3-dihydro-1H-inden-2-yloxy)phenyl]-3-thiophen-2-ylpropanoic acid;bis(methyl 3-[4-(2,3-dihydro-1H-inden-2-yloxy)phenyl]-3-thiophen-2-ylpropanoate);methyl 3-(4-hydroxyphenyl)-3-thiophen-2-ylpropanoate;hydroxide?

The IUPAC name of lithium;2,3-dihydro-1H-inden-2-ol;3-[4-(2,3-dihydro-1H-inden-2-yloxy)phenyl]-3-thiophen-2-ylpropanoic acid;bis(methyl 3-[4-(2,3-dihydro-1H-inden-2-yloxy)phenyl]-3-thiophen-2-ylpropanoate);methyl 3-(4-hydroxyphenyl)-3-thiophen-2-ylpropanoate;hydroxide (CID 162165413) is lithium;2,3-dihydro-1H-inden-2-ol;3-[4-(2,3-dihydro-1H-inden-2-yloxy)phenyl]-3-thiophen-2-ylpropanoic acid;bis(methyl 3-[4-(2,3-dihydro-1H-inden-2-yloxy)phenyl]-3-thiophen-2-ylpropanoate);methyl 3-(4-hydroxyphenyl)-3-thiophen-2-ylpropanoate;hydroxide.

What is the SMILES notation for lithium;2,3-dihydro-1H-inden-2-ol;3-[4-(2,3-dihydro-1H-inden-2-yloxy)phenyl]-3-thiophen-2-ylpropanoic acid;bis(methyl 3-[4-(2,3-dihydro-1H-inden-2-yloxy)phenyl]-3-thiophen-2-ylpropanoate);methyl 3-(4-hydroxyphenyl)-3-thiophen-2-ylpropanoate;hydroxide?

The canonical SMILES for lithium;2,3-dihydro-1H-inden-2-ol;3-[4-(2,3-dihydro-1H-inden-2-yloxy)phenyl]-3-thiophen-2-ylpropanoic acid;bis(methyl 3-[4-(2,3-dihydro-1H-inden-2-yloxy)phenyl]-3-thiophen-2-ylpropanoate);methyl 3-(4-hydroxyphenyl)-3-thiophen-2-ylpropanoate;hydroxide is COC(=O)CC(c1ccc(O)cc1)c1cccs1.COC(=O)CC(c1ccc(OC2Cc3ccccc3C2)cc1)c1cccs1.COC(=O)CC(c1ccc(OC2Cc3ccccc3C2)cc1)c1cccs1.O=C(O)CC(c1ccc(OC2Cc3ccccc3C2)cc1)c1cccs1.OC1Cc2ccccc2C1.[Li+].[OH-].

What is the InChIKey of lithium;2,3-dihydro-1H-inden-2-ol;3-[4-(2,3-dihydro-1H-inden-2-yloxy)phenyl]-3-thiophen-2-ylpropanoic acid;bis(methyl 3-[4-(2,3-dihydro-1H-inden-2-yloxy)phenyl]-3-thiophen-2-ylpropanoate);methyl 3-(4-hydroxyphenyl)-3-thiophen-2-ylpropanoate;hydroxide?

The InChIKey is ZNBBYDXATXVYBQ-UHFFFAOYSA-M. The full InChI is InChI=1S/2C23H22O3S.C22H20O3S.C14H14O3S.C9H10O.Li.H2O/c2*1-25-23(24)15-21(22-7-4-12-27-22)16-8-10-19(11-9-16)26-20-13-17-5-2-3-6-18(17)14-20;23-22(24)14-20(21-6-3-11-26-21)15-7-9-18(10-8-15)25-19-12-16-4-1-2-5-17(16)13-19;1-17-14(16)9-12(13-3-2-8-18-13)10-4-6-11(15)7-5-10;10-9-5-7-3-1-2-4-8(7)6-9;;/h2*2-12,20-21H,13-15H2,1H3;1-11,19-20H,12-14H2,(H,23,24);2-8,12,15H,9H2,1H3;1-4,9-10H,5-6H2;;1H2/q;;;;;+1;/p-1.

What are the key properties of lithium;2,3-dihydro-1H-inden-2-ol;3-[4-(2,3-dihydro-1H-inden-2-yloxy)phenyl]-3-thiophen-2-ylpropanoic acid;bis(methyl 3-[4-(2,3-dihydro-1H-inden-2-yloxy)phenyl]-3-thiophen-2-ylpropanoate);methyl 3-(4-hydroxyphenyl)-3-thiophen-2-ylpropanoate;hydroxide?

lithium;2,3-dihydro-1H-inden-2-ol;3-[4-(2,3-dihydro-1H-inden-2-yloxy)phenyl]-3-thiophen-2-ylpropanoic acid;bis(methyl 3-[4-(2,3-dihydro-1H-inden-2-yloxy)phenyl]-3-thiophen-2-ylpropanoate);methyl 3-(4-hydroxyphenyl)-3-thiophen-2-ylpropanoate;hydroxide has a molecular weight of 1541.91 g/mol, XLogP of 16.00, 22 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;2,3-dihydro-1H-inden-2-ol;3-[4-(2,3-dihydro-1H-inden-2-yloxy)phenyl]-3-thiophen-2-ylpropanoic acid;bis(methyl 3-[4-(2,3-dihydro-1H-inden-2-yloxy)phenyl]-3-thiophen-2-ylpropanoate);methyl 3-(4-hydroxyphenyl)-3-thiophen-2-ylpropanoate;hydroxide is sourced from PubChem (CID 162165413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).