1-(2-phenoxyethoxy)-2,5-dihydro-1λ5-phosphole 1-oxide

C12H15O3P — CID 54059970

IUPAC1-(2-phenoxyethoxy)-2,5-dihydro-1λ5-phosphole 1-oxide
SMILESO=P1(OCCOc2ccccc2)CC=CC1
InChIInChI=1S/C12H15O3P/c13-16(10-4-5-11-16)15-9-8-14-12-6-2-1-3-7-12/h1-7H,8-11H2
InChIKeyLYZHFLHHZMHALO-UHFFFAOYSA-N
MW238.22 g/mol
LogP2.93
Rot. Bonds5

About 1-(2-phenoxyethoxy)-2,5-dihydro-1λ5-phosphole 1-oxide

1-(2-phenoxyethoxy)-2,5-dihydro-1λ5-phosphole 1-oxide (PubChem CID 54059970) has the molecular formula C12H15O3P and a molecular weight of 238.22 g/mol. Its IUPAC name is 1-(2-phenoxyethoxy)-2,5-dihydro-1λ5-phosphole 1-oxide.

Molecular Properties

Compound Name1-(2-phenoxyethoxy)-2,5-dihydro-1λ5-phosphole 1-oxide
PubChem CID54059970
Molecular FormulaC12H15O3P
Molecular Weight238.22 g/mol
Exact Mass238.08
IUPAC Name1-(2-phenoxyethoxy)-2,5-dihydro-1λ5-phosphole 1-oxide
SMILESO=P1(OCCOc2ccccc2)CC=CC1
InChIInChI=1S/C12H15O3P/c13-16(10-4-5-11-16)15-9-8-14-12-6-2-1-3-7-12/h1-7H,8-11H2
InChIKeyLYZHFLHHZMHALO-UHFFFAOYSA-N
XLogP2.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-phenoxyethylmercury
CID 163598363
CID 58544227
CID 58544227
2-phenoxyethyl hypobromite
CID 139931807
1-(3-chloropropoxy)-4-(2-phenoxyethoxy)benzene
CID 19980783
3-[[(1S)-3-[4-(2-phenoxyethoxy)phenyl]cyclopentyl]methoxy]-1,2,3λ5-dioxaphosphirane 3-oxide
CID 143710547
4-(4-phenoxybutoxy)butoxybenzene
CID 22399981
2-phenoxyethyl 2-aminoacetate
CID 61302270
hydroxy-oxo-(2-phenoxyethoxy)phosphanium
CID 126570180
2-nitrosoethoxybenzene
CID 23511453
N-(2-phenoxyethoxy)methanamine
CID 117126931
bis(2-phenoxyethyl) cyclohexane-1,4-dicarboxylate
CID 71382770
2-(2-phenoxyethoxy)ethyl formate
CID 88533287

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenoxyethoxy)-2,5-dihydro-1λ5-phosphole 1-oxide?
The IUPAC name of 1-(2-phenoxyethoxy)-2,5-dihydro-1λ5-phosphole 1-oxide (CID 54059970) is 1-(2-phenoxyethoxy)-2,5-dihydro-1λ5-phosphole 1-oxide.
What is the SMILES notation for 1-(2-phenoxyethoxy)-2,5-dihydro-1λ5-phosphole 1-oxide?
The canonical SMILES for 1-(2-phenoxyethoxy)-2,5-dihydro-1λ5-phosphole 1-oxide is O=P1(OCCOc2ccccc2)CC=CC1.
What is the InChIKey of 1-(2-phenoxyethoxy)-2,5-dihydro-1λ5-phosphole 1-oxide?
The InChIKey is LYZHFLHHZMHALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15O3P/c13-16(10-4-5-11-16)15-9-8-14-12-6-2-1-3-7-12/h1-7H,8-11H2.
What are the key properties of 1-(2-phenoxyethoxy)-2,5-dihydro-1λ5-phosphole 1-oxide?
1-(2-phenoxyethoxy)-2,5-dihydro-1λ5-phosphole 1-oxide has a molecular weight of 238.22 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenoxyethoxy)-2,5-dihydro-1λ5-phosphole 1-oxide is sourced from PubChem (CID 54059970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).