8-butylbenzo[c][1,2]benzoxaphosphinin-6-ium 6-oxide

C16H16O2P+ — CID 57224539

IUPAC8-butylbenzo[c][1,2]benzoxaphosphinin-6-ium 6-oxide
SMILESCCCCc1ccc2c3ccccc3o[p+](=O)c2c1
InChIInChI=1S/C16H16O2P/c1-2-3-6-12-9-10-14-13-7-4-5-8-15(13)18-19(17)16(14)11-12/h4-5,7-11H,2-3,6H2,1H3/q+1
InChIKeyOPRNGLNONHNNQE-UHFFFAOYSA-N
MW271.28 g/mol
LogP5.67
Rot. Bonds3

About 8-butylbenzo[c][1,2]benzoxaphosphinin-6-ium 6-oxide

8-butylbenzo[c][1,2]benzoxaphosphinin-6-ium 6-oxide (PubChem CID 57224539) has the molecular formula C16H16O2P+ and a molecular weight of 271.28 g/mol. Its IUPAC name is 8-butylbenzo[c][1,2]benzoxaphosphinin-6-ium 6-oxide.

Molecular Properties

Compound Name8-butylbenzo[c][1,2]benzoxaphosphinin-6-ium 6-oxide
PubChem CID57224539
Molecular FormulaC16H16O2P+
Molecular Weight271.28 g/mol
Exact Mass271.09
IUPAC Name8-butylbenzo[c][1,2]benzoxaphosphinin-6-ium 6-oxide
SMILESCCCCc1ccc2c3ccccc3o[p+](=O)c2c1
InChIInChI=1S/C16H16O2P/c1-2-3-6-12-9-10-14-13-7-4-5-8-15(13)18-19(17)16(14)11-12/h4-5,7-11H,2-3,6H2,1H3/q+1
InChIKeyOPRNGLNONHNNQE-UHFFFAOYSA-N
XLogP5.67
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.28
LogP ≤ 55.67
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

3-propylbenzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide
CID 172802278
7-butylbenzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide
CID 54213365
9-butylbenzo[c]chromen-6-one
CID 102375140
2-benzylbenzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide
CID 19595781
2-(4-butylphenyl)chromen-4-one
CID 154714273
3-butylthioxanthen-9-one
CID 122699511
10-bromo-2-butylanthracene
CID 155699730
7,9-di(butan-2-yl)benzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide
CID 139755086
1,4-bis[2-(4-butyl-2-ethylphenyl)ethynyl]naphthalene
CID 123820395
2-dodecyl-9H-carbazole
CID 21248548
9-butyl-7-trimethylsilylbenzo[c]chromen-6-one
CID 102575642
8-butyl-3-hydroxybenzo[c]chromen-6-one
CID 167552509

Frequently Asked Questions

What is the IUPAC name of 8-butylbenzo[c][1,2]benzoxaphosphinin-6-ium 6-oxide?
The IUPAC name of 8-butylbenzo[c][1,2]benzoxaphosphinin-6-ium 6-oxide (CID 57224539) is 8-butylbenzo[c][1,2]benzoxaphosphinin-6-ium 6-oxide.
What is the SMILES notation for 8-butylbenzo[c][1,2]benzoxaphosphinin-6-ium 6-oxide?
The canonical SMILES for 8-butylbenzo[c][1,2]benzoxaphosphinin-6-ium 6-oxide is CCCCc1ccc2c3ccccc3o[p+](=O)c2c1.
What is the InChIKey of 8-butylbenzo[c][1,2]benzoxaphosphinin-6-ium 6-oxide?
The InChIKey is OPRNGLNONHNNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2P/c1-2-3-6-12-9-10-14-13-7-4-5-8-15(13)18-19(17)16(14)11-12/h4-5,7-11H,2-3,6H2,1H3/q+1.
What are the key properties of 8-butylbenzo[c][1,2]benzoxaphosphinin-6-ium 6-oxide?
8-butylbenzo[c][1,2]benzoxaphosphinin-6-ium 6-oxide has a molecular weight of 271.28 g/mol, XLogP of 5.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-butylbenzo[c][1,2]benzoxaphosphinin-6-ium 6-oxide is sourced from PubChem (CID 57224539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).