2,2,4,4-tetramethyl-1-(2-phenoxyethyl)phosphetane

C15H23OP — CID 21300070

IUPAC2,2,4,4-tetramethyl-1-(2-phenoxyethyl)phosphetane
SMILESCC1(C)CC(C)(C)P1CCOc1ccccc1
InChIInChI=1S/C15H23OP/c1-14(2)12-15(3,4)17(14)11-10-16-13-8-6-5-7-9-13/h5-9H,10-12H2,1-4H3
InChIKeyNYKAGZUYWGDRKY-UHFFFAOYSA-N
MW250.32 g/mol
LogP4.51
Rot. Bonds4

About 2,2,4,4-tetramethyl-1-(2-phenoxyethyl)phosphetane

2,2,4,4-tetramethyl-1-(2-phenoxyethyl)phosphetane (PubChem CID 21300070) has the molecular formula C15H23OP and a molecular weight of 250.32 g/mol. Its IUPAC name is 2,2,4,4-tetramethyl-1-(2-phenoxyethyl)phosphetane.

Molecular Properties

Compound Name2,2,4,4-tetramethyl-1-(2-phenoxyethyl)phosphetane
PubChem CID21300070
Molecular FormulaC15H23OP
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name2,2,4,4-tetramethyl-1-(2-phenoxyethyl)phosphetane
SMILESCC1(C)CC(C)(C)P1CCOc1ccccc1
InChIInChI=1S/C15H23OP/c1-14(2)12-15(3,4)17(14)11-10-16-13-8-6-5-7-9-13/h5-9H,10-12H2,1-4H3
InChIKeyNYKAGZUYWGDRKY-UHFFFAOYSA-N
XLogP4.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,2,4,4-tetramethyl-1-(2-phenoxyethyl)phosphetane 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

2-phenoxyethylmercury
CID 163598363
CID 161224902
CID 161224902
azane;propoxybenzene
CID 66667480
4-(4-phenoxybutoxy)butoxybenzene
CID 22399981
2,2,5-trimethyl-1-(2-phenoxyethyl)piperazine
CID 64844519
4,4-dimethylpentoxybenzene;fluoromethane
CID 158387745
N-(2-phenoxyethoxy)methanamine
CID 117126931
ethoxybenzene;propoxybenzene
CID 67747691
pentoxybenzene;undecane
CID 174778179
2-methyl-2-[4-(2-phenoxyethoxy)phenyl]-1,3-dithiane
CID 19989573
CID 58544227
CID 58544227
3-phenoxypropane-1-thiol
CID 18792707

Frequently Asked Questions

What is the IUPAC name of 2,2,4,4-tetramethyl-1-(2-phenoxyethyl)phosphetane?
The IUPAC name of 2,2,4,4-tetramethyl-1-(2-phenoxyethyl)phosphetane (CID 21300070) is 2,2,4,4-tetramethyl-1-(2-phenoxyethyl)phosphetane.
What is the SMILES notation for 2,2,4,4-tetramethyl-1-(2-phenoxyethyl)phosphetane?
The canonical SMILES for 2,2,4,4-tetramethyl-1-(2-phenoxyethyl)phosphetane is CC1(C)CC(C)(C)P1CCOc1ccccc1.
What is the InChIKey of 2,2,4,4-tetramethyl-1-(2-phenoxyethyl)phosphetane?
The InChIKey is NYKAGZUYWGDRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23OP/c1-14(2)12-15(3,4)17(14)11-10-16-13-8-6-5-7-9-13/h5-9H,10-12H2,1-4H3.
What are the key properties of 2,2,4,4-tetramethyl-1-(2-phenoxyethyl)phosphetane?
2,2,4,4-tetramethyl-1-(2-phenoxyethyl)phosphetane has a molecular weight of 250.32 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4-tetramethyl-1-(2-phenoxyethyl)phosphetane is sourced from PubChem (CID 21300070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).