4,5-dimethyl-2-phenoxy-1,3,2λ5-dioxaphospholane 2-oxide

C10H13O4P — CID 23418629

IUPAC4,5-dimethyl-2-phenoxy-1,3,2λ5-dioxaphospholane 2-oxide
SMILESCC1OP(=O)(Oc2ccccc2)OC1C
InChIInChI=1S/C10H13O4P/c1-8-9(2)13-15(11,12-8)14-10-6-4-3-5-7-10/h3-9H,1-2H3
InChIKeyMPYOSIAGQHHMRU-UHFFFAOYSA-N
MW228.18 g/mol
LogP3.00
Rot. Bonds2

About 4,5-dimethyl-2-phenoxy-1,3,2λ5-dioxaphospholane 2-oxide

4,5-dimethyl-2-phenoxy-1,3,2λ5-dioxaphospholane 2-oxide (PubChem CID 23418629) has the molecular formula C10H13O4P and a molecular weight of 228.18 g/mol. Its IUPAC name is 4,5-dimethyl-2-phenoxy-1,3,2λ5-dioxaphospholane 2-oxide.

Molecular Properties

Compound Name4,5-dimethyl-2-phenoxy-1,3,2λ5-dioxaphospholane 2-oxide
PubChem CID23418629
Molecular FormulaC10H13O4P
Molecular Weight228.18 g/mol
Exact Mass228.06
IUPAC Name4,5-dimethyl-2-phenoxy-1,3,2λ5-dioxaphospholane 2-oxide
SMILESCC1OP(=O)(Oc2ccccc2)OC1C
InChIInChI=1S/C10H13O4P/c1-8-9(2)13-15(11,12-8)14-10-6-4-3-5-7-10/h3-9H,1-2H3
InChIKeyMPYOSIAGQHHMRU-UHFFFAOYSA-N
XLogP3.00
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.18
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4,4,5,5-tetramethyl-2-phenoxy-1,3,2λ5-dioxaphospholane 2-oxide
CID 23416155
6-methyl-2-phenoxy-3,6-dihydro-1,2λ5-oxaphosphinine 2-oxide
CID 73229129
3-phenoxy-1,5-dihydro-2,4,3lambda5-benzodioxaphosphepine 3-oxide
CID 13459942
(2R,4R)-4-methyl-2-phenoxy-1,3,2λ5-oxazaphosphinane 2-oxide
CID 125493267
(2S,4R)-4-methyl-2-phenoxy-1,3,2λ5-oxazaphosphinane 2-oxide
CID 125493266
(2S,4S,5R)-5-bromo-2-phenoxy-4-phenyl-1,3,2λ5-dioxaphosphepane 2-oxide
CID 10915953
11-phenoxybenzo[d][1,3,6,2]benzodioxathiaphosphocine 11-oxide
CID 172701636
(1S,2R,6R,8R,9R,11S)-9-(4-methoxyphenyl)-4,4-dimethyl-11-phenoxy-3,5,7,10,12-pentaoxa-11λ5-phosphatricyclo[6.4.0.02,6]dodecane 11-oxide
CID 25188250
(1S,2R,6R,8R,9S,11R)-9-(4-methoxyphenyl)-4,4-dimethyl-11-phenoxy-3,5,7,10,12-pentaoxa-11λ5-phosphatricyclo[6.4.0.02,6]dodecane 11-oxide
CID 25188812
(3,9-dioxo-3-phenoxy-2,4,8,10-tetraoxa-3λ5,9λ5-diphosphaspiro[5.5]undecan-9-yl)-phenylazanide
CID 171069326
2,2,6,6-tetramethyl-4-oxo-4-phenoxy-1,3,5,4lambda5,2,6-oxadiazaphosphadisilinane-3,5-diamine
CID 2754939
6-ethenyl-2-phenoxy-4H-1,3,2λ5-dioxaphosphinine 2-oxide
CID 142711376

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-phenoxy-1,3,2λ5-dioxaphospholane 2-oxide?
The IUPAC name of 4,5-dimethyl-2-phenoxy-1,3,2λ5-dioxaphospholane 2-oxide (CID 23418629) is 4,5-dimethyl-2-phenoxy-1,3,2λ5-dioxaphospholane 2-oxide.
What is the SMILES notation for 4,5-dimethyl-2-phenoxy-1,3,2λ5-dioxaphospholane 2-oxide?
The canonical SMILES for 4,5-dimethyl-2-phenoxy-1,3,2λ5-dioxaphospholane 2-oxide is CC1OP(=O)(Oc2ccccc2)OC1C.
What is the InChIKey of 4,5-dimethyl-2-phenoxy-1,3,2λ5-dioxaphospholane 2-oxide?
The InChIKey is MPYOSIAGQHHMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13O4P/c1-8-9(2)13-15(11,12-8)14-10-6-4-3-5-7-10/h3-9H,1-2H3.
What are the key properties of 4,5-dimethyl-2-phenoxy-1,3,2λ5-dioxaphospholane 2-oxide?
4,5-dimethyl-2-phenoxy-1,3,2λ5-dioxaphospholane 2-oxide has a molecular weight of 228.18 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-phenoxy-1,3,2λ5-dioxaphospholane 2-oxide is sourced from PubChem (CID 23418629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).