4-(3-hydroxy-3-methylbutoxy)-9H-fluorene-9-carbaldehyde

C19H20O3 — CID 175326415

IUPAC4-(3-hydroxy-3-methylbutoxy)-9H-fluorene-9-carbaldehyde
SMILESCC(C)(O)CCOc1cccc2c1-c1ccccc1C2C=O
InChIInChI=1S/C19H20O3/c1-19(2,21)10-11-22-17-9-5-8-15-16(12-20)13-6-3-4-7-14(13)18(15)17/h3-9,12,16,21H,10-11H2,1-2H3
InChIKeyFCFAONAXMIGBKL-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.54
Rot. Bonds5

About 4-(3-hydroxy-3-methylbutoxy)-9H-fluorene-9-carbaldehyde

4-(3-hydroxy-3-methylbutoxy)-9H-fluorene-9-carbaldehyde (PubChem CID 175326415) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-(3-hydroxy-3-methylbutoxy)-9H-fluorene-9-carbaldehyde.

Molecular Properties

Compound Name4-(3-hydroxy-3-methylbutoxy)-9H-fluorene-9-carbaldehyde
PubChem CID175326415
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Name4-(3-hydroxy-3-methylbutoxy)-9H-fluorene-9-carbaldehyde
SMILESCC(C)(O)CCOc1cccc2c1-c1ccccc1C2C=O
InChIInChI=1S/C19H20O3/c1-19(2,21)10-11-22-17-9-5-8-15-16(12-20)13-6-3-4-7-14(13)18(15)17/h3-9,12,16,21H,10-11H2,1-2H3
InChIKeyFCFAONAXMIGBKL-UHFFFAOYSA-N
XLogP3.54
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(3-hydroxy-3-methylbutoxy)-9H-fluorene-9-carbaldehyde 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 4-(3-hydroxy-3-methylbutoxy)-9H-fluorene-9-carbaldehyde?
The IUPAC name of 4-(3-hydroxy-3-methylbutoxy)-9H-fluorene-9-carbaldehyde (CID 175326415) is 4-(3-hydroxy-3-methylbutoxy)-9H-fluorene-9-carbaldehyde.
What is the SMILES notation for 4-(3-hydroxy-3-methylbutoxy)-9H-fluorene-9-carbaldehyde?
The canonical SMILES for 4-(3-hydroxy-3-methylbutoxy)-9H-fluorene-9-carbaldehyde is CC(C)(O)CCOc1cccc2c1-c1ccccc1C2C=O.
What is the InChIKey of 4-(3-hydroxy-3-methylbutoxy)-9H-fluorene-9-carbaldehyde?
The InChIKey is FCFAONAXMIGBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O3/c1-19(2,21)10-11-22-17-9-5-8-15-16(12-20)13-6-3-4-7-14(13)18(15)17/h3-9,12,16,21H,10-11H2,1-2H3.
What are the key properties of 4-(3-hydroxy-3-methylbutoxy)-9H-fluorene-9-carbaldehyde?
4-(3-hydroxy-3-methylbutoxy)-9H-fluorene-9-carbaldehyde has a molecular weight of 296.37 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxy-3-methylbutoxy)-9H-fluorene-9-carbaldehyde is sourced from PubChem (CID 175326415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).