2-phenyl-1,2λ5-oxaphosphirane 2-oxide

C7H7O2P — CID 91007999

IUPAC2-phenyl-1,2λ5-oxaphosphirane 2-oxide
SMILESO=P1(c2ccccc2)CO1
InChIInChI=1S/C7H7O2P/c8-10(6-9-10)7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyQPCROCKXJRKAJO-UHFFFAOYSA-N
MW154.10 g/mol
LogP1.58
Rot. Bonds1

About 2-phenyl-1,2λ5-oxaphosphirane 2-oxide

2-phenyl-1,2λ5-oxaphosphirane 2-oxide (PubChem CID 91007999) has the molecular formula C7H7O2P and a molecular weight of 154.10 g/mol. Its IUPAC name is 2-phenyl-1,2λ5-oxaphosphirane 2-oxide.

Molecular Properties

Compound Name2-phenyl-1,2λ5-oxaphosphirane 2-oxide
PubChem CID91007999
Molecular FormulaC7H7O2P
Molecular Weight154.10 g/mol
Exact Mass154.02
IUPAC Name2-phenyl-1,2λ5-oxaphosphirane 2-oxide
SMILESO=P1(c2ccccc2)CO1
InChIInChI=1S/C7H7O2P/c8-10(6-9-10)7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyQPCROCKXJRKAJO-UHFFFAOYSA-N
XLogP1.58
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.10
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,4-dimethyl-2,6-diphenyl-1,2λ5,6λ5-oxadiphosphinane 2,6-dioxide
CID 71329899
4-phenyl-1,4lambda5-oxaphosphinane 4-oxide
CID 4134640
4,5-dimethyl-2-phenyl-3H-1,2λ5-oxaphosphole 2-oxide
CID 134935004
2-oxo-2-phenyl-1,2λ5-oxaphosphinin-5-one
CID 175055331
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
3-phenyl-1,2,4,5-tetrahydro-1,5,3λ5-benzodiazaphosphepine 3-oxide
CID 3663884
2-phenyl-6-oxa-2λ5-phosphabicyclo[3.1.0]hexane 2-oxide
CID 102257098
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
(4aS,8aR)-2-phenyl-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3,2]oxazaphosphinine 2-oxide
CID 101397054
2,5-dimethyl-1-phenyl-1λ5-phosphole 1-oxide
CID 59167240
2-phenyl-1,3,2λ5-benzodithiaphosphole 2-oxide
CID 58399828
(1R,3S)-3-methyl-1-phenyl-2,3-dihydrophosphindole 1-oxide
CID 23419049

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1,2λ5-oxaphosphirane 2-oxide?
The IUPAC name of 2-phenyl-1,2λ5-oxaphosphirane 2-oxide (CID 91007999) is 2-phenyl-1,2λ5-oxaphosphirane 2-oxide.
What is the SMILES notation for 2-phenyl-1,2λ5-oxaphosphirane 2-oxide?
The canonical SMILES for 2-phenyl-1,2λ5-oxaphosphirane 2-oxide is O=P1(c2ccccc2)CO1.
What is the InChIKey of 2-phenyl-1,2λ5-oxaphosphirane 2-oxide?
The InChIKey is QPCROCKXJRKAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7O2P/c8-10(6-9-10)7-4-2-1-3-5-7/h1-5H,6H2.
What are the key properties of 2-phenyl-1,2λ5-oxaphosphirane 2-oxide?
2-phenyl-1,2λ5-oxaphosphirane 2-oxide has a molecular weight of 154.10 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1,2λ5-oxaphosphirane 2-oxide is sourced from PubChem (CID 91007999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).