3-cyclopenta-2,4-dien-1-yloxycarbonyl-2-methylbenzoic acid;hafnium

C14H12HfO4 — CID 174380308

IUPAC3-cyclopenta-2,4-dien-1-yloxycarbonyl-2-methylbenzoic acid;hafnium
SMILESCc1c(C(=O)O)cccc1C(=O)OC1C=CC=C1.[Hf]
InChIInChI=1S/C14H12O4.Hf/c1-9-11(13(15)16)7-4-8-12(9)14(17)18-10-5-2-3-6-10;/h2-8,10H,1H3,(H,15,16);
InChIKeyZNBPFPNZYJBLKW-UHFFFAOYSA-N
MW422.74 g/mol
LogP2.34
Rot. Bonds3

About 3-cyclopenta-2,4-dien-1-yloxycarbonyl-2-methylbenzoic acid;hafnium

3-cyclopenta-2,4-dien-1-yloxycarbonyl-2-methylbenzoic acid;hafnium (PubChem CID 174380308) has the molecular formula C14H12HfO4 and a molecular weight of 422.74 g/mol. Its IUPAC name is 3-cyclopenta-2,4-dien-1-yloxycarbonyl-2-methylbenzoic acid;hafnium.

Molecular Properties

Compound Name3-cyclopenta-2,4-dien-1-yloxycarbonyl-2-methylbenzoic acid;hafnium
PubChem CID174380308
Molecular FormulaC14H12HfO4
Molecular Weight422.74 g/mol
Exact Mass424.02
IUPAC Name3-cyclopenta-2,4-dien-1-yloxycarbonyl-2-methylbenzoic acid;hafnium
SMILESCc1c(C(=O)O)cccc1C(=O)OC1C=CC=C1.[Hf]
InChIInChI=1S/C14H12O4.Hf/c1-9-11(13(15)16)7-4-8-12(9)14(17)18-10-5-2-3-6-10;/h2-8,10H,1H3,(H,15,16);
InChIKeyZNBPFPNZYJBLKW-UHFFFAOYSA-N
XLogP2.34
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.74
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-cyclopenta-2,4-dien-1-yloxycarbonyl-2-methylbenzoic acid;hafnium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-cyclopenta-2,4-dien-1-yloxycarbonyl-2-methylbenzoic acid;hafnium?
The IUPAC name of 3-cyclopenta-2,4-dien-1-yloxycarbonyl-2-methylbenzoic acid;hafnium (CID 174380308) is 3-cyclopenta-2,4-dien-1-yloxycarbonyl-2-methylbenzoic acid;hafnium.
What is the SMILES notation for 3-cyclopenta-2,4-dien-1-yloxycarbonyl-2-methylbenzoic acid;hafnium?
The canonical SMILES for 3-cyclopenta-2,4-dien-1-yloxycarbonyl-2-methylbenzoic acid;hafnium is Cc1c(C(=O)O)cccc1C(=O)OC1C=CC=C1.[Hf].
What is the InChIKey of 3-cyclopenta-2,4-dien-1-yloxycarbonyl-2-methylbenzoic acid;hafnium?
The InChIKey is ZNBPFPNZYJBLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O4.Hf/c1-9-11(13(15)16)7-4-8-12(9)14(17)18-10-5-2-3-6-10;/h2-8,10H,1H3,(H,15,16);.
What are the key properties of 3-cyclopenta-2,4-dien-1-yloxycarbonyl-2-methylbenzoic acid;hafnium?
3-cyclopenta-2,4-dien-1-yloxycarbonyl-2-methylbenzoic acid;hafnium has a molecular weight of 422.74 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopenta-2,4-dien-1-yloxycarbonyl-2-methylbenzoic acid;hafnium is sourced from PubChem (CID 174380308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).