9H-fluoren-1-yl prop-2-enoate

C16H12O2 — CID 66995440

IUPAC9H-fluoren-1-yl prop-2-enoate
SMILESC=CC(=O)Oc1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C16H12O2/c1-2-16(17)18-15-9-5-8-13-12-7-4-3-6-11(12)10-14(13)15/h2-9H,1,10H2
InChIKeyIBPADELTPKRSCQ-UHFFFAOYSA-N
MW236.27 g/mol
LogP3.35
Rot. Bonds2

About 9H-fluoren-1-yl prop-2-enoate

9H-fluoren-1-yl prop-2-enoate (PubChem CID 66995440) has the molecular formula C16H12O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 9H-fluoren-1-yl prop-2-enoate.

Molecular Properties

Compound Name9H-fluoren-1-yl prop-2-enoate
PubChem CID66995440
Molecular FormulaC16H12O2
Molecular Weight236.27 g/mol
Exact Mass236.08
IUPAC Name9H-fluoren-1-yl prop-2-enoate
SMILESC=CC(=O)Oc1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C16H12O2/c1-2-16(17)18-15-9-5-8-13-12-7-4-3-6-11(12)10-14(13)15/h2-9H,1,10H2
InChIKeyIBPADELTPKRSCQ-UHFFFAOYSA-N
XLogP3.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze 9H-fluoren-1-yl prop-2-enoate 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 9H-fluoren-1-yl prop-2-enoate?
The IUPAC name of 9H-fluoren-1-yl prop-2-enoate (CID 66995440) is 9H-fluoren-1-yl prop-2-enoate.
What is the SMILES notation for 9H-fluoren-1-yl prop-2-enoate?
The canonical SMILES for 9H-fluoren-1-yl prop-2-enoate is C=CC(=O)Oc1cccc2c1Cc1ccccc1-2.
What is the InChIKey of 9H-fluoren-1-yl prop-2-enoate?
The InChIKey is IBPADELTPKRSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O2/c1-2-16(17)18-15-9-5-8-13-12-7-4-3-6-11(12)10-14(13)15/h2-9H,1,10H2.
What are the key properties of 9H-fluoren-1-yl prop-2-enoate?
9H-fluoren-1-yl prop-2-enoate has a molecular weight of 236.27 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-1-yl prop-2-enoate is sourced from PubChem (CID 66995440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).