(2S)-6-chloro-2-morpholin-4-yl-4-phenyl-1,2λ5-benzoxaphosphinine 2-oxide

C18H17ClNO3P — CID 11864695

IUPAC(2S)-6-chloro-2-morpholin-4-yl-4-phenyl-1,2λ5-benzoxaphosphinine 2-oxide
SMILESO=[P@@]1(N2CCOCC2)C=C(c2ccccc2)c2cc(Cl)ccc2O1
InChIInChI=1S/C18H17ClNO3P/c19-15-6-7-18-16(12-15)17(14-4-2-1-3-5-14)13-24(21,23-18)20-8-10-22-11-9-20/h1-7,12-13H,8-11H2/t24-/m0/s1
InChIKeyCQNMFUIQWLDRSB-DEOSSOPVSA-N
MW361.76 g/mol
LogP4.65
Rot. Bonds2

About (2S)-6-chloro-2-morpholin-4-yl-4-phenyl-1,2λ5-benzoxaphosphinine 2-oxide

(2S)-6-chloro-2-morpholin-4-yl-4-phenyl-1,2λ5-benzoxaphosphinine 2-oxide (PubChem CID 11864695) has the molecular formula C18H17ClNO3P and a molecular weight of 361.76 g/mol. Its IUPAC name is (2S)-6-chloro-2-morpholin-4-yl-4-phenyl-1,2λ5-benzoxaphosphinine 2-oxide.

Molecular Properties

Compound Name(2S)-6-chloro-2-morpholin-4-yl-4-phenyl-1,2λ5-benzoxaphosphinine 2-oxide
PubChem CID11864695
Molecular FormulaC18H17ClNO3P
Molecular Weight361.76 g/mol
Exact Mass361.06
IUPAC Name(2S)-6-chloro-2-morpholin-4-yl-4-phenyl-1,2λ5-benzoxaphosphinine 2-oxide
SMILESO=[P@@]1(N2CCOCC2)C=C(c2ccccc2)c2cc(Cl)ccc2O1
InChIInChI=1S/C18H17ClNO3P/c19-15-6-7-18-16(12-15)17(14-4-2-1-3-5-14)13-24(21,23-18)20-8-10-22-11-9-20/h1-7,12-13H,8-11H2/t24-/m0/s1
InChIKeyCQNMFUIQWLDRSB-DEOSSOPVSA-N
XLogP4.65
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.76
LogP ≤ 54.65
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

6-chloro-2-oxido-4-phenyl-1,2lambda5-benzoxaphosphinine 2-oxide
CID 2221079
4-morpholin-4-yl-2,6-diphenyl-1,4lambda5-thiaphosphinine 4-oxide
CID 2313643
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
10-chloro-1-(morpholine-4-carbonyl)-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one
CID 14666721
4-chloro-2-(morpholin-4-ylmethyl)-6-phenylphenol
CID 23797967
(2-amino-5-chlorophenyl)-morpholin-4-ylmethanone
CID 16776415
(4-chloro-3-phenylphenyl)-morpholin-4-ylmethanone
CID 110675198
6-chloro-4-phenyl-1,2-dihydroquinoline
CID 175842137
10-chloro-6-ethyl-1-(morpholine-4-carbonyl)-3-phenyl-7H-pyrido[2,1-a]phthalazin-4-one
CID 19913682
2-(5-chloro-3-phenylindazol-1-yl)-1-morpholin-4-ylpropan-1-one
CID 20877476
[2-(3-chlorophenyl)quinolin-4-yl]-morpholin-4-ylmethanone
CID 1261463

Frequently Asked Questions

What is the IUPAC name of (2S)-6-chloro-2-morpholin-4-yl-4-phenyl-1,2λ5-benzoxaphosphinine 2-oxide?
The IUPAC name of (2S)-6-chloro-2-morpholin-4-yl-4-phenyl-1,2λ5-benzoxaphosphinine 2-oxide (CID 11864695) is (2S)-6-chloro-2-morpholin-4-yl-4-phenyl-1,2λ5-benzoxaphosphinine 2-oxide.
What is the SMILES notation for (2S)-6-chloro-2-morpholin-4-yl-4-phenyl-1,2λ5-benzoxaphosphinine 2-oxide?
The canonical SMILES for (2S)-6-chloro-2-morpholin-4-yl-4-phenyl-1,2λ5-benzoxaphosphinine 2-oxide is O=[P@@]1(N2CCOCC2)C=C(c2ccccc2)c2cc(Cl)ccc2O1.
What is the InChIKey of (2S)-6-chloro-2-morpholin-4-yl-4-phenyl-1,2λ5-benzoxaphosphinine 2-oxide?
The InChIKey is CQNMFUIQWLDRSB-DEOSSOPVSA-N. The full InChI is InChI=1S/C18H17ClNO3P/c19-15-6-7-18-16(12-15)17(14-4-2-1-3-5-14)13-24(21,23-18)20-8-10-22-11-9-20/h1-7,12-13H,8-11H2/t24-/m0/s1.
What are the key properties of (2S)-6-chloro-2-morpholin-4-yl-4-phenyl-1,2λ5-benzoxaphosphinine 2-oxide?
(2S)-6-chloro-2-morpholin-4-yl-4-phenyl-1,2λ5-benzoxaphosphinine 2-oxide has a molecular weight of 361.76 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-chloro-2-morpholin-4-yl-4-phenyl-1,2λ5-benzoxaphosphinine 2-oxide is sourced from PubChem (CID 11864695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).