oxo-bis[(2-pentan-3-yloxyphenyl)methoxy]phosphanium

C24H34O5P+ — CID 18760590

IUPACoxo-bis[(2-pentan-3-yloxyphenyl)methoxy]phosphanium
SMILESCCC(CC)Oc1ccccc1CO[P+](=O)OCc1ccccc1OC(CC)CC
InChIInChI=1S/C24H34O5P/c1-5-21(6-2)28-23-15-11-9-13-19(23)17-26-30(25)27-18-20-14-10-12-16-24(20)29-22(7-3)8-4/h9-16,21-22H,5-8,17-18H2,1-4H3/q+1
InChIKeyKJLOFDMRLNSZJN-UHFFFAOYSA-N
MW433.51 g/mol
LogP7.21
Rot. Bonds14

About oxo-bis[(2-pentan-3-yloxyphenyl)methoxy]phosphanium

oxo-bis[(2-pentan-3-yloxyphenyl)methoxy]phosphanium (PubChem CID 18760590) has the molecular formula C24H34O5P+ and a molecular weight of 433.51 g/mol. Its IUPAC name is oxo-bis[(2-pentan-3-yloxyphenyl)methoxy]phosphanium.

Molecular Properties

Compound Nameoxo-bis[(2-pentan-3-yloxyphenyl)methoxy]phosphanium
PubChem CID18760590
Molecular FormulaC24H34O5P+
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC Nameoxo-bis[(2-pentan-3-yloxyphenyl)methoxy]phosphanium
SMILESCCC(CC)Oc1ccccc1CO[P+](=O)OCc1ccccc1OC(CC)CC
InChIInChI=1S/C24H34O5P/c1-5-21(6-2)28-23-15-11-9-13-19(23)17-26-30(25)27-18-20-14-10-12-16-24(20)29-22(7-3)8-4/h9-16,21-22H,5-8,17-18H2,1-4H3/q+1
InChIKeyKJLOFDMRLNSZJN-UHFFFAOYSA-N
XLogP7.21
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.51
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze oxo-bis[(2-pentan-3-yloxyphenyl)methoxy]phosphanium 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

1-butan-2-yloxy-2-ethylbenzene
CID 64763289
1-heptan-3-yloxy-2-(nitrosomethyl)benzene
CID 54200294
N-ethyl-N-[2-(2-ethylphenoxy)butyl]aniline
CID 70633070
CID 175175444
CID 175175444
2-(2-ethylphenoxy)pentan-1-amine
CID 83044721
2-(2-ethylphenoxy)pentanoic acid
CID 83038631
4-[1-(2-ethylphenoxy)ethyl]aniline
CID 61261291
1,2-bis(butan-2-yloxymethyl)benzene
CID 21285753
1-(methoxymethyl)-2-propan-2-yloxybenzene
CID 154665726
1-(2-ethylphenoxy)ethanol
CID 154419184
3-(2-chlorophenoxy)pentanoic acid
CID 114990652
1,2-di(octan-3-yloxy)benzene
CID 168861859

Frequently Asked Questions

What is the IUPAC name of oxo-bis[(2-pentan-3-yloxyphenyl)methoxy]phosphanium?
The IUPAC name of oxo-bis[(2-pentan-3-yloxyphenyl)methoxy]phosphanium (CID 18760590) is oxo-bis[(2-pentan-3-yloxyphenyl)methoxy]phosphanium.
What is the SMILES notation for oxo-bis[(2-pentan-3-yloxyphenyl)methoxy]phosphanium?
The canonical SMILES for oxo-bis[(2-pentan-3-yloxyphenyl)methoxy]phosphanium is CCC(CC)Oc1ccccc1CO[P+](=O)OCc1ccccc1OC(CC)CC.
What is the InChIKey of oxo-bis[(2-pentan-3-yloxyphenyl)methoxy]phosphanium?
The InChIKey is KJLOFDMRLNSZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O5P/c1-5-21(6-2)28-23-15-11-9-13-19(23)17-26-30(25)27-18-20-14-10-12-16-24(20)29-22(7-3)8-4/h9-16,21-22H,5-8,17-18H2,1-4H3/q+1.
What are the key properties of oxo-bis[(2-pentan-3-yloxyphenyl)methoxy]phosphanium?
oxo-bis[(2-pentan-3-yloxyphenyl)methoxy]phosphanium has a molecular weight of 433.51 g/mol, XLogP of 7.21, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-bis[(2-pentan-3-yloxyphenyl)methoxy]phosphanium is sourced from PubChem (CID 18760590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).