2,2,2-triethoxy-4-methyl-5-phenyl-1,3,2λ5-dioxaphosphole

C15H23O5P — CID 23413150

IUPAC2,2,2-triethoxy-4-methyl-5-phenyl-1,3,2λ5-dioxaphosphole
SMILESCCOP1(OCC)(OCC)OC(C)=C(c2ccccc2)O1
InChIInChI=1S/C15H23O5P/c1-5-16-21(17-6-2,18-7-3)19-13(4)15(20-21)14-11-9-8-10-12-14/h8-12H,5-7H2,1-4H3
InChIKeyYMNPWISEMKBKFP-UHFFFAOYSA-N
MW314.32 g/mol
LogP4.66
Rot. Bonds7

About 2,2,2-triethoxy-4-methyl-5-phenyl-1,3,2λ5-dioxaphosphole

2,2,2-triethoxy-4-methyl-5-phenyl-1,3,2λ5-dioxaphosphole (PubChem CID 23413150) has the molecular formula C15H23O5P and a molecular weight of 314.32 g/mol. Its IUPAC name is 2,2,2-triethoxy-4-methyl-5-phenyl-1,3,2λ5-dioxaphosphole.

Molecular Properties

Compound Name2,2,2-triethoxy-4-methyl-5-phenyl-1,3,2λ5-dioxaphosphole
PubChem CID23413150
Molecular FormulaC15H23O5P
Molecular Weight314.32 g/mol
Exact Mass314.13
IUPAC Name2,2,2-triethoxy-4-methyl-5-phenyl-1,3,2λ5-dioxaphosphole
SMILESCCOP1(OCC)(OCC)OC(C)=C(c2ccccc2)O1
InChIInChI=1S/C15H23O5P/c1-5-16-21(17-6-2,18-7-3)19-13(4)15(20-21)14-11-9-8-10-12-14/h8-12H,5-7H2,1-4H3
InChIKeyYMNPWISEMKBKFP-UHFFFAOYSA-N
XLogP4.66
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2,2,2-triethoxy-4-methyl-5-phenyl-1,3,2λ5-dioxaphosphole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methoxy-2-methyl-3-phenyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]non-2-ene
CID 23418141
2,5-dimethyl-3,6-diphenyl-1,4-dioxine
CID 86144116
N,N,7,8-tetramethyl-2,3-diphenyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]nona-2,7-dien-5-amine
CID 23418265
1,1'-biphenyl;ethene;ethoxyethane
CID 155168221
1,1'-biphenyl;ethanol;ethoxyethane
CID 70401504
4-ethoxy-5-methyl-2,6-diphenylpyrimidine
CID 10946202
1,1'-biphenyl;methanol;propane
CID 91033003
azane;1,1'-biphenyl;butane
CID 155168826
1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate
CID 174703430
ethyl 2-phenylpyridine-3-carboxylate
CID 10846916
ethyl 4-phenylpyrimidine-5-carboxylate;4-phenylpyrimidine-5-carboxylic acid
CID 159272594
ethoxyethane;1-methyl-4-(4-phenylphenoxy)benzene
CID 67262862

Frequently Asked Questions

What is the IUPAC name of 2,2,2-triethoxy-4-methyl-5-phenyl-1,3,2λ5-dioxaphosphole?
The IUPAC name of 2,2,2-triethoxy-4-methyl-5-phenyl-1,3,2λ5-dioxaphosphole (CID 23413150) is 2,2,2-triethoxy-4-methyl-5-phenyl-1,3,2λ5-dioxaphosphole.
What is the SMILES notation for 2,2,2-triethoxy-4-methyl-5-phenyl-1,3,2λ5-dioxaphosphole?
The canonical SMILES for 2,2,2-triethoxy-4-methyl-5-phenyl-1,3,2λ5-dioxaphosphole is CCOP1(OCC)(OCC)OC(C)=C(c2ccccc2)O1.
What is the InChIKey of 2,2,2-triethoxy-4-methyl-5-phenyl-1,3,2λ5-dioxaphosphole?
The InChIKey is YMNPWISEMKBKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23O5P/c1-5-16-21(17-6-2,18-7-3)19-13(4)15(20-21)14-11-9-8-10-12-14/h8-12H,5-7H2,1-4H3.
What are the key properties of 2,2,2-triethoxy-4-methyl-5-phenyl-1,3,2λ5-dioxaphosphole?
2,2,2-triethoxy-4-methyl-5-phenyl-1,3,2λ5-dioxaphosphole has a molecular weight of 314.32 g/mol, XLogP of 4.66, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-triethoxy-4-methyl-5-phenyl-1,3,2λ5-dioxaphosphole is sourced from PubChem (CID 23413150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).