2-benzylbenzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide

C19H14O2P+ — CID 19595781

IUPAC2-benzylbenzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide
SMILESO=[p+]1oc2ccc(Cc3ccccc3)cc2c2ccccc21
InChIInChI=1S/C19H14O2P/c20-22-19-9-5-4-8-16(19)17-13-15(10-11-18(17)21-22)12-14-6-2-1-3-7-14/h1-11,13H,12H2/q+1
InChIKeyQOVLPBQZQVDKGR-UHFFFAOYSA-N
MW305.29 g/mol
LogP5.92
Rot. Bonds2

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

2-benzylbenzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide (PubChem CID 19595781) has the molecular formula C19H14O2P+ and a molecular weight of 305.29 g/mol. Its IUPAC name is 2-benzylbenzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide.

Molecular Properties

Compound Name2-benzylbenzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide
PubChem CID19595781
Molecular FormulaC19H14O2P+
Molecular Weight305.29 g/mol
Exact Mass305.07
IUPAC Name2-benzylbenzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide
SMILESO=[p+]1oc2ccc(Cc3ccccc3)cc2c2ccccc21
InChIInChI=1S/C19H14O2P/c20-22-19-9-5-4-8-16(19)17-13-15(10-11-18(17)21-22)12-14-6-2-1-3-7-14/h1-11,13H,12H2/q+1
InChIKeyQOVLPBQZQVDKGR-UHFFFAOYSA-N
XLogP5.92
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.29
LogP ≤ 55.92
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

6H-Dibenz[c,e][1,2]oxaphosphorin, 6-oxide
CID 6328250
13-Chloro-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
CID 4372074
6-Benzoyl-2-naphthyl phosphate disodium
CID 16219035
(11bS)-4-Methoxydinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine
CID 10148332
(R)-4-Phenoxydinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine
CID 10525496
4-Phenyldinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine
CID 12990041
13-(2-Methylphenyl)-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
CID 59827441
13-(2-Phenylphenyl)-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
CID 59827442
6-sulfido-6H-benzo[c][2,1]benzoxaphosphinin-6-ium
CID 101777197
13-Tert-butyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
CID 11263230
13-Methyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
CID 11457340
6-Phenylbenzo[d][1,3,2]benzodioxaphosphepine
CID 14637277

Frequently Asked Questions

What is the IUPAC name of 2-benzylbenzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide?
The IUPAC name of 2-benzylbenzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide (CID 19595781) is 2-benzylbenzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide.
What is the SMILES notation for 2-benzylbenzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide?
The canonical SMILES for 2-benzylbenzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide is O=[p+]1oc2ccc(Cc3ccccc3)cc2c2ccccc21.
What is the InChIKey of 2-benzylbenzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide?
The InChIKey is QOVLPBQZQVDKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O2P/c20-22-19-9-5-4-8-16(19)17-13-15(10-11-18(17)21-22)12-14-6-2-1-3-7-14/h1-11,13H,12H2/q+1.
What are the key properties of 2-benzylbenzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide?
2-benzylbenzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide has a molecular weight of 305.29 g/mol, XLogP of 5.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylbenzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide is sourced from PubChem (CID 19595781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).