benzo[f]phosphinolin-3-yl prop-2-enoate

C16H11O2P — CID 162718801

IUPACbenzo[f]phosphinolin-3-yl prop-2-enoate
SMILESC=CC(=O)Oc1ccc2c(ccc3ccccc32)p1
InChIInChI=1S/C16H11O2P/c1-2-15(17)18-16-10-8-13-12-6-4-3-5-11(12)7-9-14(13)19-16/h2-10H,1H2
InChIKeyCFORBKOHTQTMMC-UHFFFAOYSA-N
MW266.24 g/mol
LogP4.66
Rot. Bonds2

About benzo[f]phosphinolin-3-yl prop-2-enoate

benzo[f]phosphinolin-3-yl prop-2-enoate (PubChem CID 162718801) has the molecular formula C16H11O2P and a molecular weight of 266.24 g/mol. Its IUPAC name is benzo[f]phosphinolin-3-yl prop-2-enoate.

Molecular Properties

Compound Namebenzo[f]phosphinolin-3-yl prop-2-enoate
PubChem CID162718801
Molecular FormulaC16H11O2P
Molecular Weight266.24 g/mol
Exact Mass266.05
IUPAC Namebenzo[f]phosphinolin-3-yl prop-2-enoate
SMILESC=CC(=O)Oc1ccc2c(ccc3ccccc32)p1
InChIInChI=1S/C16H11O2P/c1-2-15(17)18-16-10-8-13-12-6-4-3-5-11(12)7-9-14(13)19-16/h2-10H,1H2
InChIKeyCFORBKOHTQTMMC-UHFFFAOYSA-N
XLogP4.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.24
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzo[f]phosphinolin-3-yl prop-2-enoate?
The IUPAC name of benzo[f]phosphinolin-3-yl prop-2-enoate (CID 162718801) is benzo[f]phosphinolin-3-yl prop-2-enoate.
What is the SMILES notation for benzo[f]phosphinolin-3-yl prop-2-enoate?
The canonical SMILES for benzo[f]phosphinolin-3-yl prop-2-enoate is C=CC(=O)Oc1ccc2c(ccc3ccccc32)p1.
What is the InChIKey of benzo[f]phosphinolin-3-yl prop-2-enoate?
The InChIKey is CFORBKOHTQTMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11O2P/c1-2-15(17)18-16-10-8-13-12-6-4-3-5-11(12)7-9-14(13)19-16/h2-10H,1H2.
What are the key properties of benzo[f]phosphinolin-3-yl prop-2-enoate?
benzo[f]phosphinolin-3-yl prop-2-enoate has a molecular weight of 266.24 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[f]phosphinolin-3-yl prop-2-enoate is sourced from PubChem (CID 162718801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).