4-propan-2-ylbenzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide

C15H14O2P+ — CID 19595742

IUPAC4-propan-2-ylbenzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide
SMILESCC(C)c1cccc2c1o[p+](=O)c1ccccc21
InChIInChI=1S/C15H14O2P/c1-10(2)11-7-5-8-13-12-6-3-4-9-14(12)18(16)17-15(11)13/h3-10H,1-2H3/q+1
InChIKeySQVKSMNTUSABFU-UHFFFAOYSA-N
MW257.25 g/mol
LogP5.45
Rot. Bonds1

About 4-propan-2-ylbenzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide

4-propan-2-ylbenzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide (PubChem CID 19595742) has the molecular formula C15H14O2P+ and a molecular weight of 257.25 g/mol. Its IUPAC name is 4-propan-2-ylbenzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide.

Molecular Properties

Compound Name4-propan-2-ylbenzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide
PubChem CID19595742
Molecular FormulaC15H14O2P+
Molecular Weight257.25 g/mol
Exact Mass257.07
IUPAC Name4-propan-2-ylbenzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide
SMILESCC(C)c1cccc2c1o[p+](=O)c1ccccc21
InChIInChI=1S/C15H14O2P/c1-10(2)11-7-5-8-13-12-6-3-4-9-14(12)18(16)17-15(11)13/h3-10H,1-2H3/q+1
InChIKeySQVKSMNTUSABFU-UHFFFAOYSA-N
XLogP5.45
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500257.25
LogP ≤ 55.45
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

2-(1-phenylethyl)benzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide
CID 19595776
8-propan-2-ylbenzo[c][1,2]benzoxaphosphinin-6-ium 6-oxide
CID 19595721
4-methyl-8-propan-2-ylchromen-2-one
CID 71446036
CID 174936567
CID 174936567
4,9-ditert-butylbenzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide
CID 139755076
4-hydroxy-3-methyl-8-propan-2-ylchromen-2-one
CID 143309874
2-benzyl-4-tert-butylbenzo[c][1,2]benzoxaphosphinin-6-ium 6-oxide
CID 19595714
N-iodo-6-propan-2-yl-N-(2-propan-2-ylphenyl)dibenzofuran-4-amine
CID 137416612
N-(2-ethylphenyl)-N-methyl-6-propan-2-yldibenzofuran-4-amine
CID 138651496
1,2-di(propan-2-yl)benzene;dihydrate
CID 70397314
ethane;methane;1-propan-2-ylnaphthalene
CID 160778548
8-propan-2-yl-[1]benzofuro[2,3-c]pyridine
CID 139383147

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-ylbenzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide?
The IUPAC name of 4-propan-2-ylbenzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide (CID 19595742) is 4-propan-2-ylbenzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide.
What is the SMILES notation for 4-propan-2-ylbenzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide?
The canonical SMILES for 4-propan-2-ylbenzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide is CC(C)c1cccc2c1o[p+](=O)c1ccccc21.
What is the InChIKey of 4-propan-2-ylbenzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide?
The InChIKey is SQVKSMNTUSABFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2P/c1-10(2)11-7-5-8-13-12-6-3-4-9-14(12)18(16)17-15(11)13/h3-10H,1-2H3/q+1.
What are the key properties of 4-propan-2-ylbenzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide?
4-propan-2-ylbenzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide has a molecular weight of 257.25 g/mol, XLogP of 5.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-ylbenzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide is sourced from PubChem (CID 19595742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).