4,5-dimethyl-2-phenyl-3H-1,2λ5-oxaphosphole 2-oxide

C11H13O2P — CID 134935004

IUPAC4,5-dimethyl-2-phenyl-3H-1,2λ5-oxaphosphole 2-oxide
SMILESCC1=C(C)OP(=O)(c2ccccc2)C1
InChIInChI=1S/C11H13O2P/c1-9-8-14(12,13-10(9)2)11-6-4-3-5-7-11/h3-7H,8H2,1-2H3
InChIKeyKHUCHCWFVGPBDY-UHFFFAOYSA-N
MW208.20 g/mol
LogP2.91
Rot. Bonds1

About 4,5-dimethyl-2-phenyl-3H-1,2λ5-oxaphosphole 2-oxide

4,5-dimethyl-2-phenyl-3H-1,2λ5-oxaphosphole 2-oxide (PubChem CID 134935004) has the molecular formula C11H13O2P and a molecular weight of 208.20 g/mol. Its IUPAC name is 4,5-dimethyl-2-phenyl-3H-1,2λ5-oxaphosphole 2-oxide.

Molecular Properties

Compound Name4,5-dimethyl-2-phenyl-3H-1,2λ5-oxaphosphole 2-oxide
PubChem CID134935004
Molecular FormulaC11H13O2P
Molecular Weight208.20 g/mol
Exact Mass208.07
IUPAC Name4,5-dimethyl-2-phenyl-3H-1,2λ5-oxaphosphole 2-oxide
SMILESCC1=C(C)OP(=O)(c2ccccc2)C1
InChIInChI=1S/C11H13O2P/c1-9-8-14(12,13-10(9)2)11-6-4-3-5-7-11/h3-7H,8H2,1-2H3
InChIKeyKHUCHCWFVGPBDY-UHFFFAOYSA-N
XLogP2.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.20
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-1,2λ5-oxaphosphirane 2-oxide
CID 91007999
4,4-dimethyl-2,6-diphenyl-1,2λ5,6λ5-oxadiphosphinane 2,6-dioxide
CID 71329899
13-phenyl-12-oxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide
CID 102277315
2,3,7,8-tetramethyl-5,10-diphenylphosphanthrene 5,10-dioxide
CID 102415355
2,5-dimethyl-1-phenyl-1λ5-phosphole 1-oxide
CID 59167240
3,7-dimethyl-11-phenyl-1,9-di(propan-2-yl)-5H-benzo[d][1,3,2]benzodioxaphosphocine 11-oxide
CID 22967870
4-phenyl-1,4lambda5-oxaphosphinane 4-oxide
CID 4134640
3,4-dimethyl-1-phenyl-2,3-dihydro-1λ5-phosphole 1-oxide
CID 23454564
5-methyl-4-phenyl-2,9,10-trioxa-1λ5-phosphatricyclo[5.2.1.03,8]deca-3,5,7-triene 1-oxide
CID 141057235
2-phenyl-1,3,2λ5-benzodithiaphosphole 2-oxide
CID 58399828
ethene;toluene;dihydrochloride
CID 174276009
11-phenyl-3-oxa-11λ5-phosphatetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene 11-oxide
CID 134395999

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-phenyl-3H-1,2λ5-oxaphosphole 2-oxide?
The IUPAC name of 4,5-dimethyl-2-phenyl-3H-1,2λ5-oxaphosphole 2-oxide (CID 134935004) is 4,5-dimethyl-2-phenyl-3H-1,2λ5-oxaphosphole 2-oxide.
What is the SMILES notation for 4,5-dimethyl-2-phenyl-3H-1,2λ5-oxaphosphole 2-oxide?
The canonical SMILES for 4,5-dimethyl-2-phenyl-3H-1,2λ5-oxaphosphole 2-oxide is CC1=C(C)OP(=O)(c2ccccc2)C1.
What is the InChIKey of 4,5-dimethyl-2-phenyl-3H-1,2λ5-oxaphosphole 2-oxide?
The InChIKey is KHUCHCWFVGPBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13O2P/c1-9-8-14(12,13-10(9)2)11-6-4-3-5-7-11/h3-7H,8H2,1-2H3.
What are the key properties of 4,5-dimethyl-2-phenyl-3H-1,2λ5-oxaphosphole 2-oxide?
4,5-dimethyl-2-phenyl-3H-1,2λ5-oxaphosphole 2-oxide has a molecular weight of 208.20 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-phenyl-3H-1,2λ5-oxaphosphole 2-oxide is sourced from PubChem (CID 134935004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).