ethenyl (9-oxofluoren-2-yl) carbonate

C16H10O4 — CID 18547364

IUPACethenyl (9-oxofluoren-2-yl) carbonate
SMILESC=COC(=O)Oc1ccc2c(c1)C(=O)c1ccccc1-2
InChIInChI=1S/C16H10O4/c1-2-19-16(18)20-10-7-8-12-11-5-3-4-6-13(11)15(17)14(12)9-10/h2-9H,1H2
InChIKeyHTUGFNRQGWQJTO-UHFFFAOYSA-N
MW266.25 g/mol
LogP3.56
Rot. Bonds2

About ethenyl (9-oxofluoren-2-yl) carbonate

ethenyl (9-oxofluoren-2-yl) carbonate (PubChem CID 18547364) has the molecular formula C16H10O4 and a molecular weight of 266.25 g/mol. Its IUPAC name is ethenyl (9-oxofluoren-2-yl) carbonate.

Molecular Properties

Compound Nameethenyl (9-oxofluoren-2-yl) carbonate
PubChem CID18547364
Molecular FormulaC16H10O4
Molecular Weight266.25 g/mol
Exact Mass266.06
IUPAC Nameethenyl (9-oxofluoren-2-yl) carbonate
SMILESC=COC(=O)Oc1ccc2c(c1)C(=O)c1ccccc1-2
InChIInChI=1S/C16H10O4/c1-2-19-16(18)20-10-7-8-12-11-5-3-4-6-13(11)15(17)14(12)9-10/h2-9H,1H2
InChIKeyHTUGFNRQGWQJTO-UHFFFAOYSA-N
XLogP3.56
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

Analyze ethenyl (9-oxofluoren-2-yl) carbonate 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 ethenyl (9-oxofluoren-2-yl) carbonate?
The IUPAC name of ethenyl (9-oxofluoren-2-yl) carbonate (CID 18547364) is ethenyl (9-oxofluoren-2-yl) carbonate.
What is the SMILES notation for ethenyl (9-oxofluoren-2-yl) carbonate?
The canonical SMILES for ethenyl (9-oxofluoren-2-yl) carbonate is C=COC(=O)Oc1ccc2c(c1)C(=O)c1ccccc1-2.
What is the InChIKey of ethenyl (9-oxofluoren-2-yl) carbonate?
The InChIKey is HTUGFNRQGWQJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10O4/c1-2-19-16(18)20-10-7-8-12-11-5-3-4-6-13(11)15(17)14(12)9-10/h2-9H,1H2.
What are the key properties of ethenyl (9-oxofluoren-2-yl) carbonate?
ethenyl (9-oxofluoren-2-yl) carbonate has a molecular weight of 266.25 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl (9-oxofluoren-2-yl) carbonate is sourced from PubChem (CID 18547364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).