3-propylbenzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide

C15H14O2P+ — CID 172802278

IUPAC3-propylbenzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide
SMILESCCCc1ccc2c(c1)o[p+](=O)c1ccccc21
InChIInChI=1S/C15H14O2P/c1-2-5-11-8-9-12-13-6-3-4-7-15(13)18(16)17-14(12)10-11/h3-4,6-10H,2,5H2,1H3/q+1
InChIKeyODZOHLXKPXKHGF-UHFFFAOYSA-N
MW257.25 g/mol
LogP5.28
Rot. Bonds2

About 3-propylbenzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide

3-propylbenzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide (PubChem CID 172802278) has the molecular formula C15H14O2P+ and a molecular weight of 257.25 g/mol. Its IUPAC name is 3-propylbenzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide.

Molecular Properties

Compound Name3-propylbenzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide
PubChem CID172802278
Molecular FormulaC15H14O2P+
Molecular Weight257.25 g/mol
Exact Mass257.07
IUPAC Name3-propylbenzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide
SMILESCCCc1ccc2c(c1)o[p+](=O)c1ccccc21
InChIInChI=1S/C15H14O2P/c1-2-5-11-8-9-12-13-6-3-4-7-15(13)18(16)17-14(12)10-11/h3-4,6-10H,2,5H2,1H3/q+1
InChIKeyODZOHLXKPXKHGF-UHFFFAOYSA-N
XLogP5.28
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500257.25
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

8-butylbenzo[c][1,2]benzoxaphosphinin-6-ium 6-oxide
CID 57224539
CID 174936567
CID 174936567
2-benzylbenzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide
CID 19595781
8-propan-2-ylbenzo[c][1,2]benzoxaphosphinin-6-ium 6-oxide
CID 19595721
6,18-dipropyl-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene
CID 70938401
7-butylbenzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide
CID 54213365
benzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide;methyl prop-2-enoate
CID 162094709
9-(2,4,4-trimethylpentan-2-yl)benzo[c][1,2]benzoxaphosphinin-6-ium 6-oxide
CID 139755068
3-ethyldibenzofuran
CID 58510747
2-(1-phenylethyl)benzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide
CID 19595776
2-methyl-11-propyltriphenylene
CID 163874505
9-butylbenzo[c]chromen-6-one
CID 102375140

Frequently Asked Questions

What is the IUPAC name of 3-propylbenzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide?
The IUPAC name of 3-propylbenzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide (CID 172802278) is 3-propylbenzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide.
What is the SMILES notation for 3-propylbenzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide?
The canonical SMILES for 3-propylbenzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide is CCCc1ccc2c(c1)o[p+](=O)c1ccccc21.
What is the InChIKey of 3-propylbenzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide?
The InChIKey is ODZOHLXKPXKHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2P/c1-2-5-11-8-9-12-13-6-3-4-7-15(13)18(16)17-14(12)10-11/h3-4,6-10H,2,5H2,1H3/q+1.
What are the key properties of 3-propylbenzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide?
3-propylbenzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide has a molecular weight of 257.25 g/mol, XLogP of 5.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propylbenzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide is sourced from PubChem (CID 172802278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).