(6S)-6-methylbenzo[c][2,1]benzoxaphosphinine 6-oxide

C13H11O2P — CID 66809959

IUPAC(6S)-6-methylbenzo[c][2,1]benzoxaphosphinine 6-oxide
SMILESC[P@]1(=O)Oc2ccccc2-c2ccccc21
InChIInChI=1S/C13H11O2P/c1-16(14)13-9-5-3-7-11(13)10-6-2-4-8-12(10)15-16/h2-9H,1H3/t16-/m0/s1
InChIKeyKZJBHSXMURQXRM-INIZCTEOSA-N
MW230.20 g/mol
LogP3.28
Rot. Bonds

About (6S)-6-methylbenzo[c][2,1]benzoxaphosphinine 6-oxide

(6S)-6-methylbenzo[c][2,1]benzoxaphosphinine 6-oxide (PubChem CID 66809959) has the molecular formula C13H11O2P and a molecular weight of 230.20 g/mol. Its IUPAC name is (6S)-6-methylbenzo[c][2,1]benzoxaphosphinine 6-oxide.

Molecular Properties

Compound Name(6S)-6-methylbenzo[c][2,1]benzoxaphosphinine 6-oxide
PubChem CID66809959
Molecular FormulaC13H11O2P
Molecular Weight230.20 g/mol
Exact Mass230.05
IUPAC Name(6S)-6-methylbenzo[c][2,1]benzoxaphosphinine 6-oxide
SMILESC[P@]1(=O)Oc2ccccc2-c2ccccc21
InChIInChI=1S/C13H11O2P/c1-16(14)13-9-5-3-7-11(13)10-6-2-4-8-12(10)15-16/h2-9H,1H3/t16-/m0/s1
InChIKeyKZJBHSXMURQXRM-INIZCTEOSA-N
XLogP3.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.20
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Diphenyl cresyl phosphate
CID 520263
o-Cresyl phosphate
CID 6527
Bis(isopropylphenyl) phenyl phosphate
CID 34149
Salithion
CID 19657
Tris(2,6-xylenyl)phosphate
CID 8460
Isopropylphenyl diphenyl phosphate
CID 34148
Phosphoric acid, (1,1-dimethylethyl)phenyl diphenyl ester
CID 158333
Tris(isopropylphenyl)phosphate
CID 33661
Phosphoric acid, (1,1'-biphenyl)-2-yl diphenyl ester
CID 67234
Bis(t-butylphenyl) phenyl phosphate
CID 47696
Tri-o-cresyl phosphite
CID 92937
O,O-Ditolyl phosphorodithioate
CID 162177

Frequently Asked Questions

What is the IUPAC name of (6S)-6-methylbenzo[c][2,1]benzoxaphosphinine 6-oxide?
The IUPAC name of (6S)-6-methylbenzo[c][2,1]benzoxaphosphinine 6-oxide (CID 66809959) is (6S)-6-methylbenzo[c][2,1]benzoxaphosphinine 6-oxide.
What is the SMILES notation for (6S)-6-methylbenzo[c][2,1]benzoxaphosphinine 6-oxide?
The canonical SMILES for (6S)-6-methylbenzo[c][2,1]benzoxaphosphinine 6-oxide is C[P@]1(=O)Oc2ccccc2-c2ccccc21.
What is the InChIKey of (6S)-6-methylbenzo[c][2,1]benzoxaphosphinine 6-oxide?
The InChIKey is KZJBHSXMURQXRM-INIZCTEOSA-N. The full InChI is InChI=1S/C13H11O2P/c1-16(14)13-9-5-3-7-11(13)10-6-2-4-8-12(10)15-16/h2-9H,1H3/t16-/m0/s1.
What are the key properties of (6S)-6-methylbenzo[c][2,1]benzoxaphosphinine 6-oxide?
(6S)-6-methylbenzo[c][2,1]benzoxaphosphinine 6-oxide has a molecular weight of 230.20 g/mol, XLogP of 3.28, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-methylbenzo[c][2,1]benzoxaphosphinine 6-oxide is sourced from PubChem (CID 66809959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).