butyl 9-hydroxyfluorene-9-carboxylate;silver

C18H18AgO3 — CID 122424754

IUPACbutyl 9-hydroxyfluorene-9-carboxylate;silver
SMILESCCCCOC(=O)C1(O)c2ccccc2-c2ccccc21.[Ag]
InChIInChI=1S/C18H18O3.Ag/c1-2-3-12-21-17(19)18(20)15-10-6-4-8-13(15)14-9-5-7-11-16(14)18;/h4-11,20H,2-3,12H2,1H3;
InChIKeyLNEPOAIHKSJDGO-UHFFFAOYSA-N
MW390.21 g/mol
LogP3.24
Rot. Bonds4

About butyl 9-hydroxyfluorene-9-carboxylate;silver

butyl 9-hydroxyfluorene-9-carboxylate;silver (PubChem CID 122424754) has the molecular formula C18H18AgO3 and a molecular weight of 390.21 g/mol. Its IUPAC name is butyl 9-hydroxyfluorene-9-carboxylate;silver.

Molecular Properties

Compound Namebutyl 9-hydroxyfluorene-9-carboxylate;silver
PubChem CID122424754
Molecular FormulaC18H18AgO3
Molecular Weight390.21 g/mol
Exact Mass389.03
IUPAC Namebutyl 9-hydroxyfluorene-9-carboxylate;silver
SMILESCCCCOC(=O)C1(O)c2ccccc2-c2ccccc21.[Ag]
InChIInChI=1S/C18H18O3.Ag/c1-2-3-12-21-17(19)18(20)15-10-6-4-8-13(15)14-9-5-7-11-16(14)18;/h4-11,20H,2-3,12H2,1H3;
InChIKeyLNEPOAIHKSJDGO-UHFFFAOYSA-N
XLogP3.24
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.21
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze butyl 9-hydroxyfluorene-9-carboxylate;silver 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 butyl 9-hydroxyfluorene-9-carboxylate;silver?
The IUPAC name of butyl 9-hydroxyfluorene-9-carboxylate;silver (CID 122424754) is butyl 9-hydroxyfluorene-9-carboxylate;silver.
What is the SMILES notation for butyl 9-hydroxyfluorene-9-carboxylate;silver?
The canonical SMILES for butyl 9-hydroxyfluorene-9-carboxylate;silver is CCCCOC(=O)C1(O)c2ccccc2-c2ccccc21.[Ag].
What is the InChIKey of butyl 9-hydroxyfluorene-9-carboxylate;silver?
The InChIKey is LNEPOAIHKSJDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3.Ag/c1-2-3-12-21-17(19)18(20)15-10-6-4-8-13(15)14-9-5-7-11-16(14)18;/h4-11,20H,2-3,12H2,1H3;.
What are the key properties of butyl 9-hydroxyfluorene-9-carboxylate;silver?
butyl 9-hydroxyfluorene-9-carboxylate;silver has a molecular weight of 390.21 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 9-hydroxyfluorene-9-carboxylate;silver is sourced from PubChem (CID 122424754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).