3-azido-6-ethyl-5-methyl-2-phenyl-4-phenylmethoxy-1,2λ5-oxaphosphinane 2-oxide

C20H24N3O3P — CID 118602915

IUPAC3-azido-6-ethyl-5-methyl-2-phenyl-4-phenylmethoxy-1,2λ5-oxaphosphinane 2-oxide
SMILESCCC1OP(=O)(c2ccccc2)C(N=[N+]=[N-])C(OCc2ccccc2)C1C
InChIInChI=1S/C20H24N3O3P/c1-3-18-15(2)19(25-14-16-10-6-4-7-11-16)20(22-23-21)27(24,26-18)17-12-8-5-9-13-17/h4-13,15,18-20H,3,14H2,1-2H3
InChIKeyULOBYRLDYHEAPA-UHFFFAOYSA-N
MW385.40 g/mol
LogP5.26
Rot. Bonds6

About 3-azido-6-ethyl-5-methyl-2-phenyl-4-phenylmethoxy-1,2λ5-oxaphosphinane 2-oxide

3-azido-6-ethyl-5-methyl-2-phenyl-4-phenylmethoxy-1,2λ5-oxaphosphinane 2-oxide (PubChem CID 118602915) has the molecular formula C20H24N3O3P and a molecular weight of 385.40 g/mol. Its IUPAC name is 3-azido-6-ethyl-5-methyl-2-phenyl-4-phenylmethoxy-1,2λ5-oxaphosphinane 2-oxide.

Molecular Properties

Compound Name3-azido-6-ethyl-5-methyl-2-phenyl-4-phenylmethoxy-1,2λ5-oxaphosphinane 2-oxide
PubChem CID118602915
Molecular FormulaC20H24N3O3P
Molecular Weight385.40 g/mol
Exact Mass385.16
IUPAC Name3-azido-6-ethyl-5-methyl-2-phenyl-4-phenylmethoxy-1,2λ5-oxaphosphinane 2-oxide
SMILESCCC1OP(=O)(c2ccccc2)C(N=[N+]=[N-])C(OCc2ccccc2)C1C
InChIInChI=1S/C20H24N3O3P/c1-3-18-15(2)19(25-14-16-10-6-4-7-11-16)20(22-23-21)27(24,26-18)17-12-8-5-9-13-17/h4-13,15,18-20H,3,14H2,1-2H3
InChIKeyULOBYRLDYHEAPA-UHFFFAOYSA-N
XLogP5.26
TPSA84.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.40
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(2R,3R,4S,5S,6R)-6-ethyl-3,5-dimethyl-2-phenyl-4-phenylmethoxy-1,2λ5-oxaphosphinane 2-oxide
CID 159484392
(5S,6R)-6-ethyl-5-methyl-2-octyl-2-oxo-4-phenylmethoxy-1,2λ5-oxaphosphinan-3-ol
CID 59585304
[(2R,4S,5S)-4-azido-6-ethyl-3,5-dimethyloxan-2-yl] acetate;[(2S,4S,5S)-4-azido-6-ethyl-5-methyl-3-phenylmethoxyoxan-2-yl] acetate
CID 160877590
(3R,4S,5R,6R)-5-azido-2-fluoro-6-methyl-3,4-bis(phenylmethoxy)oxane
CID 11057757
(4R,5S)-5-azido-2-ethyl-6-methoxy-4-phenylmethoxyoxan-3-ol
CID 70920316
(3R,4S,5R,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-ol
CID 67471371
(3R,4S,5S,6R)-6-ethyl-5-methyl-4-phenylmethoxyoxane-3-carboxylic acid
CID 174153806
(2S,3S,4S,5S,6R)-3-bromo-2-phenyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-1,2λ5-oxaphosphinane 2-oxide
CID 122195669
(2S,3S,4R)-4-azido-2-methyl-3-phenylmethoxy-3,4-dihydro-2H-pyran
CID 10955826
(2R,3R,4R,5S,6S)-5-azido-2,3-dimethoxy-6-methyl-4-phenylmethoxyoxane
CID 101086007
[(3S,4R,6S)-5-azido-2-ethyl-6-fluoro-3-phenylmethoxyoxan-4-yl] benzoate
CID 59982649
(2R,3R,5S)-2-ethyl-5-fluoro-4-methyl-3-phenylmethoxyoxolane
CID 122695335

Frequently Asked Questions

What is the IUPAC name of 3-azido-6-ethyl-5-methyl-2-phenyl-4-phenylmethoxy-1,2λ5-oxaphosphinane 2-oxide?
The IUPAC name of 3-azido-6-ethyl-5-methyl-2-phenyl-4-phenylmethoxy-1,2λ5-oxaphosphinane 2-oxide (CID 118602915) is 3-azido-6-ethyl-5-methyl-2-phenyl-4-phenylmethoxy-1,2λ5-oxaphosphinane 2-oxide.
What is the SMILES notation for 3-azido-6-ethyl-5-methyl-2-phenyl-4-phenylmethoxy-1,2λ5-oxaphosphinane 2-oxide?
The canonical SMILES for 3-azido-6-ethyl-5-methyl-2-phenyl-4-phenylmethoxy-1,2λ5-oxaphosphinane 2-oxide is CCC1OP(=O)(c2ccccc2)C(N=[N+]=[N-])C(OCc2ccccc2)C1C.
What is the InChIKey of 3-azido-6-ethyl-5-methyl-2-phenyl-4-phenylmethoxy-1,2λ5-oxaphosphinane 2-oxide?
The InChIKey is ULOBYRLDYHEAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N3O3P/c1-3-18-15(2)19(25-14-16-10-6-4-7-11-16)20(22-23-21)27(24,26-18)17-12-8-5-9-13-17/h4-13,15,18-20H,3,14H2,1-2H3.
What are the key properties of 3-azido-6-ethyl-5-methyl-2-phenyl-4-phenylmethoxy-1,2λ5-oxaphosphinane 2-oxide?
3-azido-6-ethyl-5-methyl-2-phenyl-4-phenylmethoxy-1,2λ5-oxaphosphinane 2-oxide has a molecular weight of 385.40 g/mol, XLogP of 5.26, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-6-ethyl-5-methyl-2-phenyl-4-phenylmethoxy-1,2λ5-oxaphosphinane 2-oxide is sourced from PubChem (CID 118602915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).