hafnium;2-methyl-3-[(2-methyl-1H-inden-1-yl)oxycarbonyl]benzoic acid

C19H16HfO4 — CID 174369746

IUPAChafnium;2-methyl-3-[(2-methyl-1H-inden-1-yl)oxycarbonyl]benzoic acid
SMILESCC1=Cc2ccccc2C1OC(=O)c1cccc(C(=O)O)c1C.[Hf]
InChIInChI=1S/C19H16O4.Hf/c1-11-10-13-6-3-4-7-16(13)17(11)23-19(22)15-9-5-8-14(12(15)2)18(20)21;/h3-10,17H,1-2H3,(H,20,21);
InChIKeyZFJHPUCCCPXKDT-UHFFFAOYSA-N
MW486.82 g/mol
LogP4.01
Rot. Bonds3

About hafnium;2-methyl-3-[(2-methyl-1H-inden-1-yl)oxycarbonyl]benzoic acid

hafnium;2-methyl-3-[(2-methyl-1H-inden-1-yl)oxycarbonyl]benzoic acid (PubChem CID 174369746) has the molecular formula C19H16HfO4 and a molecular weight of 486.82 g/mol. Its IUPAC name is hafnium;2-methyl-3-[(2-methyl-1H-inden-1-yl)oxycarbonyl]benzoic acid.

Molecular Properties

Compound Namehafnium;2-methyl-3-[(2-methyl-1H-inden-1-yl)oxycarbonyl]benzoic acid
PubChem CID174369746
Molecular FormulaC19H16HfO4
Molecular Weight486.82 g/mol
Exact Mass488.05
IUPAC Namehafnium;2-methyl-3-[(2-methyl-1H-inden-1-yl)oxycarbonyl]benzoic acid
SMILESCC1=Cc2ccccc2C1OC(=O)c1cccc(C(=O)O)c1C.[Hf]
InChIInChI=1S/C19H16O4.Hf/c1-11-10-13-6-3-4-7-16(13)17(11)23-19(22)15-9-5-8-14(12(15)2)18(20)21;/h3-10,17H,1-2H3,(H,20,21);
InChIKeyZFJHPUCCCPXKDT-UHFFFAOYSA-N
XLogP4.01
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.82
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of hafnium;2-methyl-3-[(2-methyl-1H-inden-1-yl)oxycarbonyl]benzoic acid?
The IUPAC name of hafnium;2-methyl-3-[(2-methyl-1H-inden-1-yl)oxycarbonyl]benzoic acid (CID 174369746) is hafnium;2-methyl-3-[(2-methyl-1H-inden-1-yl)oxycarbonyl]benzoic acid.
What is the SMILES notation for hafnium;2-methyl-3-[(2-methyl-1H-inden-1-yl)oxycarbonyl]benzoic acid?
The canonical SMILES for hafnium;2-methyl-3-[(2-methyl-1H-inden-1-yl)oxycarbonyl]benzoic acid is CC1=Cc2ccccc2C1OC(=O)c1cccc(C(=O)O)c1C.[Hf].
What is the InChIKey of hafnium;2-methyl-3-[(2-methyl-1H-inden-1-yl)oxycarbonyl]benzoic acid?
The InChIKey is ZFJHPUCCCPXKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O4.Hf/c1-11-10-13-6-3-4-7-16(13)17(11)23-19(22)15-9-5-8-14(12(15)2)18(20)21;/h3-10,17H,1-2H3,(H,20,21);.
What are the key properties of hafnium;2-methyl-3-[(2-methyl-1H-inden-1-yl)oxycarbonyl]benzoic acid?
hafnium;2-methyl-3-[(2-methyl-1H-inden-1-yl)oxycarbonyl]benzoic acid has a molecular weight of 486.82 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hafnium;2-methyl-3-[(2-methyl-1H-inden-1-yl)oxycarbonyl]benzoic acid is sourced from PubChem (CID 174369746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).