anthracen-9-ylmethyl-ethoxy-oxophosphanium

C17H16O2P+ — CID 89327520

IUPACanthracen-9-ylmethyl-ethoxy-oxophosphanium
SMILESCCO[P+](=O)Cc1c2ccccc2cc2ccccc12
InChIInChI=1S/C17H16O2P/c1-2-19-20(18)12-17-15-9-5-3-7-13(15)11-14-8-4-6-10-16(14)17/h3-11H,2,12H2,1H3/q+1
InChIKeyFXOJTXYHBKJMED-UHFFFAOYSA-N
MW283.29 g/mol
LogP5.27
Rot. Bonds4

About anthracen-9-ylmethyl-ethoxy-oxophosphanium

anthracen-9-ylmethyl-ethoxy-oxophosphanium (PubChem CID 89327520) has the molecular formula C17H16O2P+ and a molecular weight of 283.29 g/mol. Its IUPAC name is anthracen-9-ylmethyl-ethoxy-oxophosphanium.

Molecular Properties

Compound Nameanthracen-9-ylmethyl-ethoxy-oxophosphanium
PubChem CID89327520
Molecular FormulaC17H16O2P+
Molecular Weight283.29 g/mol
Exact Mass283.09
IUPAC Nameanthracen-9-ylmethyl-ethoxy-oxophosphanium
SMILESCCO[P+](=O)Cc1c2ccccc2cc2ccccc12
InChIInChI=1S/C17H16O2P/c1-2-19-20(18)12-17-15-9-5-3-7-13(15)11-14-8-4-6-10-16(14)17/h3-11H,2,12H2,1H3/q+1
InChIKeyFXOJTXYHBKJMED-UHFFFAOYSA-N
XLogP5.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.29
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of anthracen-9-ylmethyl-ethoxy-oxophosphanium?
The IUPAC name of anthracen-9-ylmethyl-ethoxy-oxophosphanium (CID 89327520) is anthracen-9-ylmethyl-ethoxy-oxophosphanium.
What is the SMILES notation for anthracen-9-ylmethyl-ethoxy-oxophosphanium?
The canonical SMILES for anthracen-9-ylmethyl-ethoxy-oxophosphanium is CCO[P+](=O)Cc1c2ccccc2cc2ccccc12.
What is the InChIKey of anthracen-9-ylmethyl-ethoxy-oxophosphanium?
The InChIKey is FXOJTXYHBKJMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2P/c1-2-19-20(18)12-17-15-9-5-3-7-13(15)11-14-8-4-6-10-16(14)17/h3-11H,2,12H2,1H3/q+1.
What are the key properties of anthracen-9-ylmethyl-ethoxy-oxophosphanium?
anthracen-9-ylmethyl-ethoxy-oxophosphanium has a molecular weight of 283.29 g/mol, XLogP of 5.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for anthracen-9-ylmethyl-ethoxy-oxophosphanium is sourced from PubChem (CID 89327520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).