6-cyclohexa-1,4-dien-1-ylbenzo[c][2,1]benzoxaphosphinine 6-oxide

C18H15O2P — CID 151320639

IUPAC6-cyclohexa-1,4-dien-1-ylbenzo[c][2,1]benzoxaphosphinine 6-oxide
SMILESO=P1(C2=CCC=CC2)Oc2ccccc2-c2ccccc21
InChIInChI=1S/C18H15O2P/c19-21(14-8-2-1-3-9-14)18-13-7-5-11-16(18)15-10-4-6-12-17(15)20-21/h1-2,4-7,9-13H,3,8H2
InChIKeyOGJODCAXQQGTBH-UHFFFAOYSA-N
MW294.29 g/mol
LogP4.88
Rot. Bonds1

About 6-cyclohexa-1,4-dien-1-ylbenzo[c][2,1]benzoxaphosphinine 6-oxide

6-cyclohexa-1,4-dien-1-ylbenzo[c][2,1]benzoxaphosphinine 6-oxide (PubChem CID 151320639) has the molecular formula C18H15O2P and a molecular weight of 294.29 g/mol. Its IUPAC name is 6-cyclohexa-1,4-dien-1-ylbenzo[c][2,1]benzoxaphosphinine 6-oxide.

Molecular Properties

Compound Name6-cyclohexa-1,4-dien-1-ylbenzo[c][2,1]benzoxaphosphinine 6-oxide
PubChem CID151320639
Molecular FormulaC18H15O2P
Molecular Weight294.29 g/mol
Exact Mass294.08
IUPAC Name6-cyclohexa-1,4-dien-1-ylbenzo[c][2,1]benzoxaphosphinine 6-oxide
SMILESO=P1(C2=CCC=CC2)Oc2ccccc2-c2ccccc21
InChIInChI=1S/C18H15O2P/c19-21(14-8-2-1-3-9-14)18-13-7-5-11-16(18)15-10-4-6-12-17(15)20-21/h1-2,4-7,9-13H,3,8H2
InChIKeyOGJODCAXQQGTBH-UHFFFAOYSA-N
XLogP4.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.29
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-[4-[2-[4-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)phenyl]ethyl]phenyl]benzo[c][2,1]benzoxaphosphinine 6-oxide
CID 145489714
6-methylbenzo[c][2,1]benzoxaphosphinine 6-oxide;1,4-xylene
CID 158354295
6-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)sulfonylbenzo[c][2,1]benzoxaphosphinine 6-oxide
CID 155351564
CID 157451486
CID 157451486
azane;deuteriooxy-hydroxy-oxophosphanium;methane;6-oxidobenzo[c][2,1]benzoxaphosphinine 6-oxide
CID 159712054
6-methylbenzo[d][1,3,2]benzodioxaphosphepine 6-oxide
CID 90446218
1,3-bis[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]urea
CID 155313188
2-diphenylphosphoryl-3-(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)benzene-1,4-diol
CID 102496741
6-methyl-6-methyliminobenzo[c][2,1]benzoxaphosphinine
CID 170372495
N,N-bis[2-[bis[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]amino]ethyl]-N',N'-bis[(6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)methyl]ethane-1,2-diamine
CID 164746026
6-prop-2-ynylbenzo[c][2,1]benzoxaphosphinine 6-oxide
CID 174185485
(6-sulfanylidenebenzo[c][2,1]benzoxaphosphinin-6-yl)chloranium
CID 163915272

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexa-1,4-dien-1-ylbenzo[c][2,1]benzoxaphosphinine 6-oxide?
The IUPAC name of 6-cyclohexa-1,4-dien-1-ylbenzo[c][2,1]benzoxaphosphinine 6-oxide (CID 151320639) is 6-cyclohexa-1,4-dien-1-ylbenzo[c][2,1]benzoxaphosphinine 6-oxide.
What is the SMILES notation for 6-cyclohexa-1,4-dien-1-ylbenzo[c][2,1]benzoxaphosphinine 6-oxide?
The canonical SMILES for 6-cyclohexa-1,4-dien-1-ylbenzo[c][2,1]benzoxaphosphinine 6-oxide is O=P1(C2=CCC=CC2)Oc2ccccc2-c2ccccc21.
What is the InChIKey of 6-cyclohexa-1,4-dien-1-ylbenzo[c][2,1]benzoxaphosphinine 6-oxide?
The InChIKey is OGJODCAXQQGTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15O2P/c19-21(14-8-2-1-3-9-14)18-13-7-5-11-16(18)15-10-4-6-12-17(15)20-21/h1-2,4-7,9-13H,3,8H2.
What are the key properties of 6-cyclohexa-1,4-dien-1-ylbenzo[c][2,1]benzoxaphosphinine 6-oxide?
6-cyclohexa-1,4-dien-1-ylbenzo[c][2,1]benzoxaphosphinine 6-oxide has a molecular weight of 294.29 g/mol, XLogP of 4.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexa-1,4-dien-1-ylbenzo[c][2,1]benzoxaphosphinine 6-oxide is sourced from PubChem (CID 151320639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).