3-[[(1S)-3-[4-(2-phenoxyethoxy)phenyl]cyclopentyl]methoxy]-1,2,3λ5-dioxaphosphirane 3-oxide

C20H23O6P — CID 143710547

IUPAC3-[[(1S)-3-[4-(2-phenoxyethoxy)phenyl]cyclopentyl]methoxy]-1,2,3λ5-dioxaphosphirane 3-oxide
SMILESO=P1(OC[C@H]2CCC(c3ccc(OCCOc4ccccc4)cc3)C2)OO1
InChIInChI=1S/C20H23O6P/c21-27(25-26-27)24-15-16-6-7-18(14-16)17-8-10-20(11-9-17)23-13-12-22-19-4-2-1-3-5-19/h1-5,8-11,16,18H,6-7,12-15H2/t16-,18?/m0/s1
InChIKeyLHDRNDSXZWDBNI-ATNAJCNCSA-N
MW390.37 g/mol
LogP5.11
Rot. Bonds9

About 3-[[(1S)-3-[4-(2-phenoxyethoxy)phenyl]cyclopentyl]methoxy]-1,2,3λ5-dioxaphosphirane 3-oxide

3-[[(1S)-3-[4-(2-phenoxyethoxy)phenyl]cyclopentyl]methoxy]-1,2,3λ5-dioxaphosphirane 3-oxide (PubChem CID 143710547) has the molecular formula C20H23O6P and a molecular weight of 390.37 g/mol. Its IUPAC name is 3-[[(1S)-3-[4-(2-phenoxyethoxy)phenyl]cyclopentyl]methoxy]-1,2,3λ5-dioxaphosphirane 3-oxide.

Molecular Properties

Compound Name3-[[(1S)-3-[4-(2-phenoxyethoxy)phenyl]cyclopentyl]methoxy]-1,2,3λ5-dioxaphosphirane 3-oxide
PubChem CID143710547
Molecular FormulaC20H23O6P
Molecular Weight390.37 g/mol
Exact Mass390.12
IUPAC Name3-[[(1S)-3-[4-(2-phenoxyethoxy)phenyl]cyclopentyl]methoxy]-1,2,3λ5-dioxaphosphirane 3-oxide
SMILESO=P1(OC[C@H]2CCC(c3ccc(OCCOc4ccccc4)cc3)C2)OO1
InChIInChI=1S/C20H23O6P/c21-27(25-26-27)24-15-16-6-7-18(14-16)17-8-10-20(11-9-17)23-13-12-22-19-4-2-1-3-5-19/h1-5,8-11,16,18H,6-7,12-15H2/t16-,18?/m0/s1
InChIKeyLHDRNDSXZWDBNI-ATNAJCNCSA-N
XLogP5.11
TPSA69.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.37
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[[(1S)-3-[4-(2-phenoxyethoxy)phenyl]cyclopentyl]methoxy]-1,2,3λ5-dioxaphosphirane 3-oxide 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

[3-[4-(2-phenoxyethoxy)phenyl]cyclopentyl]methanol
CID 143710409
1-cyclohexyl-4-(2-phenoxyethoxy)benzene
CID 14047825
[(1S)-3-[4-(3-phenylpropoxy)phenyl]cyclopentyl]methanol
CID 143710483
1-(6-phenoxyhexoxy)-4-(4-propylcyclohexyl)benzene
CID 102047471
1-(2-phenoxyethoxy)-2,5-dihydro-1λ5-phosphole 1-oxide
CID 54059970
cyclopropylmethoxybenzene
CID 12712156
[3-[4-[3-(4-methoxyphenyl)propoxy]phenyl]cyclopentyl]methyl dihydrogen phosphate
CID 143710411
3-(phenoxymethyl)cyclopentan-1-amine
CID 83618605
[(1S,3R)-3-(4-methoxyphenyl)cyclopentyl]methyl carbamate
CID 143710570
2-phenoxyethyl hypobromite
CID 139931807
[(1R,3S)-3-phenylcyclopentyl]methanamine
CID 95435358
[(1S,3R)-3-phenylcyclopentyl]methanamine
CID 95435355

Frequently Asked Questions

What is the IUPAC name of 3-[[(1S)-3-[4-(2-phenoxyethoxy)phenyl]cyclopentyl]methoxy]-1,2,3λ5-dioxaphosphirane 3-oxide?
The IUPAC name of 3-[[(1S)-3-[4-(2-phenoxyethoxy)phenyl]cyclopentyl]methoxy]-1,2,3λ5-dioxaphosphirane 3-oxide (CID 143710547) is 3-[[(1S)-3-[4-(2-phenoxyethoxy)phenyl]cyclopentyl]methoxy]-1,2,3λ5-dioxaphosphirane 3-oxide.
What is the SMILES notation for 3-[[(1S)-3-[4-(2-phenoxyethoxy)phenyl]cyclopentyl]methoxy]-1,2,3λ5-dioxaphosphirane 3-oxide?
The canonical SMILES for 3-[[(1S)-3-[4-(2-phenoxyethoxy)phenyl]cyclopentyl]methoxy]-1,2,3λ5-dioxaphosphirane 3-oxide is O=P1(OC[C@H]2CCC(c3ccc(OCCOc4ccccc4)cc3)C2)OO1.
What is the InChIKey of 3-[[(1S)-3-[4-(2-phenoxyethoxy)phenyl]cyclopentyl]methoxy]-1,2,3λ5-dioxaphosphirane 3-oxide?
The InChIKey is LHDRNDSXZWDBNI-ATNAJCNCSA-N. The full InChI is InChI=1S/C20H23O6P/c21-27(25-26-27)24-15-16-6-7-18(14-16)17-8-10-20(11-9-17)23-13-12-22-19-4-2-1-3-5-19/h1-5,8-11,16,18H,6-7,12-15H2/t16-,18?/m0/s1.
What are the key properties of 3-[[(1S)-3-[4-(2-phenoxyethoxy)phenyl]cyclopentyl]methoxy]-1,2,3λ5-dioxaphosphirane 3-oxide?
3-[[(1S)-3-[4-(2-phenoxyethoxy)phenyl]cyclopentyl]methoxy]-1,2,3λ5-dioxaphosphirane 3-oxide has a molecular weight of 390.37 g/mol, XLogP of 5.11, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1S)-3-[4-(2-phenoxyethoxy)phenyl]cyclopentyl]methoxy]-1,2,3λ5-dioxaphosphirane 3-oxide is sourced from PubChem (CID 143710547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).