2-[(6,7-dichloro-1-hydroxy-2-methyl-2-propan-2-yl-1,3-dihydroinden-5-yl)oxy]acetic acid

C15H18Cl2O4 — CID 21449486

About 2-[(6,7-dichloro-1-hydroxy-2-methyl-2-propan-2-yl-1,3-dihydroinden-5-yl)oxy]acetic acid

2-[(6,7-dichloro-1-hydroxy-2-methyl-2-propan-2-yl-1,3-dihydroinden-5-yl)oxy]acetic acid (PubChem CID 21449486) has the molecular formula C15H18Cl2O4 and a molecular weight of 333.21 g/mol. Its IUPAC name is 2-[(6,7-dichloro-1-hydroxy-2-methyl-2-propan-2-yl-1,3-dihydroinden-5-yl)oxy]acetic acid.

Molecular Properties

• Compound Name: 2-[(6,7-dichloro-1-hydroxy-2-methyl-2-propan-2-yl-1,3-dihydroinden-5-yl)oxy]acetic acid
• PubChem CID: 21449486
• Molecular Formula: C15H18Cl2O4
• Molecular Weight: 333.21 g/mol
• Exact Mass: 332.06
• IUPAC Name: 2-[(6,7-dichloro-1-hydroxy-2-methyl-2-propan-2-yl-1,3-dihydroinden-5-yl)oxy]acetic acid
• SMILES: CC(C)C1(C)Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2C1O
• InChI: InChI=1S/C15H18Cl2O4/c1-7(2)15(3)5-8-4-9(21-6-10(18)19)12(16)13(17)11(8)14(15)20/h4,7,14,20H,5-6H2,1-3H3,(H,18,19)
• InChIKey: RORQGPZBWZHMGP-UHFFFAOYSA-N
• XLogP: 3.71
• TPSA: 66.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	333.21
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[(6,7-dichloro-1-hydroxy-2-methyl-2-propan-2-yl-1,3-dihydroinden-5-yl)oxy]acetic acid?

The IUPAC name of 2-[(6,7-dichloro-1-hydroxy-2-methyl-2-propan-2-yl-1,3-dihydroinden-5-yl)oxy]acetic acid (CID 21449486) is 2-[(6,7-dichloro-1-hydroxy-2-methyl-2-propan-2-yl-1,3-dihydroinden-5-yl)oxy]acetic acid.

What is the SMILES notation for 2-[(6,7-dichloro-1-hydroxy-2-methyl-2-propan-2-yl-1,3-dihydroinden-5-yl)oxy]acetic acid?

The canonical SMILES for 2-[(6,7-dichloro-1-hydroxy-2-methyl-2-propan-2-yl-1,3-dihydroinden-5-yl)oxy]acetic acid is CC(C)C1(C)Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2C1O.

What is the InChIKey of 2-[(6,7-dichloro-1-hydroxy-2-methyl-2-propan-2-yl-1,3-dihydroinden-5-yl)oxy]acetic acid?

The InChIKey is RORQGPZBWZHMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2O4/c1-7(2)15(3)5-8-4-9(21-6-10(18)19)12(16)13(17)11(8)14(15)20/h4,7,14,20H,5-6H2,1-3H3,(H,18,19).

What are the key properties of 2-[(6,7-dichloro-1-hydroxy-2-methyl-2-propan-2-yl-1,3-dihydroinden-5-yl)oxy]acetic acid?

2-[(6,7-dichloro-1-hydroxy-2-methyl-2-propan-2-yl-1,3-dihydroinden-5-yl)oxy]acetic acid has a molecular weight of 333.21 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(6,7-dichloro-1-hydroxy-2-methyl-2-propan-2-yl-1,3-dihydroinden-5-yl)oxy]acetic acid is sourced from PubChem (CID 21449486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).