6-chloro-2-oxido-4-phenyl-1,2lambda5-benzoxaphosphinine 2-oxide

C14H9ClO3P- — CID 2221079

IUPAC6-chloro-2-oxido-4-phenyl-1,2lambda5-benzoxaphosphinine 2-oxide
SMILESO=P1([O-])C=C(c2ccccc2)c2cc(Cl)ccc2O1
InChIInChI=1S/C14H10ClO3P/c15-11-6-7-14-12(8-11)13(9-19(16,17)18-14)10-4-2-1-3-5-10/h1-9H,(H,16,17)/p-1
InChIKeyBDQBVHWHJNBDDE-UHFFFAOYSA-M
MW291.65 g/mol
LogP3.67
Rot. Bonds1

About 6-chloro-2-oxido-4-phenyl-1,2lambda5-benzoxaphosphinine 2-oxide

6-chloro-2-oxido-4-phenyl-1,2lambda5-benzoxaphosphinine 2-oxide (PubChem CID 2221079) has the molecular formula C14H9ClO3P- and a molecular weight of 291.65 g/mol. Its IUPAC name is 6-chloro-2-oxido-4-phenyl-1,2lambda5-benzoxaphosphinine 2-oxide.

Molecular Properties

Compound Name6-chloro-2-oxido-4-phenyl-1,2lambda5-benzoxaphosphinine 2-oxide
PubChem CID2221079
Molecular FormulaC14H9ClO3P-
Molecular Weight291.65 g/mol
Exact Mass291.00
IUPAC Name6-chloro-2-oxido-4-phenyl-1,2lambda5-benzoxaphosphinine 2-oxide
SMILESO=P1([O-])C=C(c2ccccc2)c2cc(Cl)ccc2O1
InChIInChI=1S/C14H10ClO3P/c15-11-6-7-14-12(8-11)13(9-19(16,17)18-14)10-4-2-1-3-5-10/h1-9H,(H,16,17)/p-1
InChIKeyBDQBVHWHJNBDDE-UHFFFAOYSA-M
XLogP3.67
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.65
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-6-chloro-2-morpholin-4-yl-4-phenyl-1,2λ5-benzoxaphosphinine 2-oxide
CID 11864695
6-chloro-2,2-dipentyl-4-phenyl-1,2-benzoxaphosphinin-2-ium
CID 132943159
8-tert-butyl-2,6-dichloro-4-phenyl-1,2λ5-benzoxaphosphinine 2-oxide
CID 15496683
4-chloro-1-ethyl-2-phenylbenzene
CID 90346891
4-chloro-2-phenylbenzoic acid
CID 11424784
1-(3-bromophenyl)-4-chloro-2-phenylbenzene
CID 166487710
6-chloro-3-(7-chloro-1,4-dioxo-3-phenylnaphthalen-2-yl)-2-phenylnaphthalene-1,4-dione
CID 141466090
6-chloro-3-(phenyl-λ3-iodanylidene)chromene-2,4-dione
CID 101202383
(2-chloro-6-oxobenzo[c][2,1]benzoxaphosphinin-6-yl)-(2,4,6-trimethylphenyl)methanone
CID 14366299
7-chloro-2,3-diphenyl-4-sulfanylidenenaphthalen-1-one
CID 88621365
3-chlorobenzo[b][1]benzoxepine-5,6-dicarboxylic acid
CID 59800201
6-chloro-4-phenyl-1,2-dihydroquinoline
CID 175842137

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-oxido-4-phenyl-1,2lambda5-benzoxaphosphinine 2-oxide?
The IUPAC name of 6-chloro-2-oxido-4-phenyl-1,2lambda5-benzoxaphosphinine 2-oxide (CID 2221079) is 6-chloro-2-oxido-4-phenyl-1,2lambda5-benzoxaphosphinine 2-oxide.
What is the SMILES notation for 6-chloro-2-oxido-4-phenyl-1,2lambda5-benzoxaphosphinine 2-oxide?
The canonical SMILES for 6-chloro-2-oxido-4-phenyl-1,2lambda5-benzoxaphosphinine 2-oxide is O=P1([O-])C=C(c2ccccc2)c2cc(Cl)ccc2O1.
What is the InChIKey of 6-chloro-2-oxido-4-phenyl-1,2lambda5-benzoxaphosphinine 2-oxide?
The InChIKey is BDQBVHWHJNBDDE-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H10ClO3P/c15-11-6-7-14-12(8-11)13(9-19(16,17)18-14)10-4-2-1-3-5-10/h1-9H,(H,16,17)/p-1.
What are the key properties of 6-chloro-2-oxido-4-phenyl-1,2lambda5-benzoxaphosphinine 2-oxide?
6-chloro-2-oxido-4-phenyl-1,2lambda5-benzoxaphosphinine 2-oxide has a molecular weight of 291.65 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-oxido-4-phenyl-1,2lambda5-benzoxaphosphinine 2-oxide is sourced from PubChem (CID 2221079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).