2-chloro-3,4-dimethyl-5-phenyl-1,3,2-oxazaphospholidine

C10H13ClNOP — CID 13239037

IUPAC2-chloro-3,4-dimethyl-5-phenyl-1,3,2-oxazaphospholidine
SMILESCC1C(c2ccccc2)OP(Cl)N1C
InChIInChI=1S/C10H13ClNOP/c1-8-10(13-14(11)12(8)2)9-6-4-3-5-7-9/h3-8,10H,1-2H3
InChIKeyUKFVXPAEGFCTES-UHFFFAOYSA-N
MW229.65 g/mol
LogP3.54
Rot. Bonds1

About 2-chloro-3,4-dimethyl-5-phenyl-1,3,2-oxazaphospholidine

2-chloro-3,4-dimethyl-5-phenyl-1,3,2-oxazaphospholidine (PubChem CID 13239037) has the molecular formula C10H13ClNOP and a molecular weight of 229.65 g/mol. Its IUPAC name is 2-chloro-3,4-dimethyl-5-phenyl-1,3,2-oxazaphospholidine.

Molecular Properties

Compound Name2-chloro-3,4-dimethyl-5-phenyl-1,3,2-oxazaphospholidine
PubChem CID13239037
Molecular FormulaC10H13ClNOP
Molecular Weight229.65 g/mol
Exact Mass229.04
IUPAC Name2-chloro-3,4-dimethyl-5-phenyl-1,3,2-oxazaphospholidine
SMILESCC1C(c2ccccc2)OP(Cl)N1C
InChIInChI=1S/C10H13ClNOP/c1-8-10(13-14(11)12(8)2)9-6-4-3-5-7-9/h3-8,10H,1-2H3
InChIKeyUKFVXPAEGFCTES-UHFFFAOYSA-N
XLogP3.54
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.65
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3,4-dimethyl-5-phenyl-1,3,2-oxazaphospholidine?
The IUPAC name of 2-chloro-3,4-dimethyl-5-phenyl-1,3,2-oxazaphospholidine (CID 13239037) is 2-chloro-3,4-dimethyl-5-phenyl-1,3,2-oxazaphospholidine.
What is the SMILES notation for 2-chloro-3,4-dimethyl-5-phenyl-1,3,2-oxazaphospholidine?
The canonical SMILES for 2-chloro-3,4-dimethyl-5-phenyl-1,3,2-oxazaphospholidine is CC1C(c2ccccc2)OP(Cl)N1C.
What is the InChIKey of 2-chloro-3,4-dimethyl-5-phenyl-1,3,2-oxazaphospholidine?
The InChIKey is UKFVXPAEGFCTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClNOP/c1-8-10(13-14(11)12(8)2)9-6-4-3-5-7-9/h3-8,10H,1-2H3.
What are the key properties of 2-chloro-3,4-dimethyl-5-phenyl-1,3,2-oxazaphospholidine?
2-chloro-3,4-dimethyl-5-phenyl-1,3,2-oxazaphospholidine has a molecular weight of 229.65 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3,4-dimethyl-5-phenyl-1,3,2-oxazaphospholidine is sourced from PubChem (CID 13239037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).