[1-ethyl-1-[2-(3-phosphonopentan-3-yl)anthracen-1-yl]propyl]phosphonic acid

C24H32O6P2 — CID 126564288

IUPAC[1-ethyl-1-[2-(3-phosphonopentan-3-yl)anthracen-1-yl]propyl]phosphonic acid
SMILESCCC(CC)(c1ccc2cc3ccccc3cc2c1C(CC)(CC)P(=O)(O)O)P(=O)(O)O
InChIInChI=1S/C24H32O6P2/c1-5-23(6-2,31(25,26)27)21-14-13-19-15-17-11-9-10-12-18(17)16-20(19)22(21)24(7-3,8-4)32(28,29)30/h9-16H,5-8H2,1-4H3,(H2,25,26,27)(H2,28,29,30)
InChIKeyOHLKPTITYPBHSX-UHFFFAOYSA-N
MW478.46 g/mol
LogP6.38
Rot. Bonds8

About [1-ethyl-1-[2-(3-phosphonopentan-3-yl)anthracen-1-yl]propyl]phosphonic acid

[1-ethyl-1-[2-(3-phosphonopentan-3-yl)anthracen-1-yl]propyl]phosphonic acid (PubChem CID 126564288) has the molecular formula C24H32O6P2 and a molecular weight of 478.46 g/mol. Its IUPAC name is [1-ethyl-1-[2-(3-phosphonopentan-3-yl)anthracen-1-yl]propyl]phosphonic acid.

Molecular Properties

Compound Name[1-ethyl-1-[2-(3-phosphonopentan-3-yl)anthracen-1-yl]propyl]phosphonic acid
PubChem CID126564288
Molecular FormulaC24H32O6P2
Molecular Weight478.46 g/mol
Exact Mass478.17
IUPAC Name[1-ethyl-1-[2-(3-phosphonopentan-3-yl)anthracen-1-yl]propyl]phosphonic acid
SMILESCCC(CC)(c1ccc2cc3ccccc3cc2c1C(CC)(CC)P(=O)(O)O)P(=O)(O)O
InChIInChI=1S/C24H32O6P2/c1-5-23(6-2,31(25,26)27)21-14-13-19-15-17-11-9-10-12-18(17)16-20(19)22(21)24(7-3,8-4)32(28,29)30/h9-16H,5-8H2,1-4H3,(H2,25,26,27)(H2,28,29,30)
InChIKeyOHLKPTITYPBHSX-UHFFFAOYSA-N
XLogP6.38
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.46
LogP ≤ 56.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze [1-ethyl-1-[2-(3-phosphonopentan-3-yl)anthracen-1-yl]propyl]phosphonic acid 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

Retene
CID 10222
{[7-(Difluoro-Phosphono-Methyl)-Naphthalen-2-Yl]-Difluoro-Methyl}-Phosphonic Acid
CID 446662
Phosphine oxide, [1,1'-binaphthalene]-2,2'-diylbis
CID 10985169
1,4,5,8-Tetramethylanthracene
CID 5147927
1-(1-Naphthyl)ethenylphosphonic acid
CID 657859
9-Dodecylphenanthrene
CID 267594
P-(1-Naphthalenylmethyl)phosphonic acid
CID 96536
Phenanthrene, 9-ethyl-10-methyl-
CID 177802
2-[1-Diethoxyphosphoryl-2-(4-fluorophenyl)ethyl]naphthalene
CID 70695905
Anthracene, 2,3,9,10-tetramethyl-
CID 47954
9,10-Diethylanthracene
CID 95718
9-Butylanthracene
CID 73908

Frequently Asked Questions

What is the IUPAC name of [1-ethyl-1-[2-(3-phosphonopentan-3-yl)anthracen-1-yl]propyl]phosphonic acid?
The IUPAC name of [1-ethyl-1-[2-(3-phosphonopentan-3-yl)anthracen-1-yl]propyl]phosphonic acid (CID 126564288) is [1-ethyl-1-[2-(3-phosphonopentan-3-yl)anthracen-1-yl]propyl]phosphonic acid.
What is the SMILES notation for [1-ethyl-1-[2-(3-phosphonopentan-3-yl)anthracen-1-yl]propyl]phosphonic acid?
The canonical SMILES for [1-ethyl-1-[2-(3-phosphonopentan-3-yl)anthracen-1-yl]propyl]phosphonic acid is CCC(CC)(c1ccc2cc3ccccc3cc2c1C(CC)(CC)P(=O)(O)O)P(=O)(O)O.
What is the InChIKey of [1-ethyl-1-[2-(3-phosphonopentan-3-yl)anthracen-1-yl]propyl]phosphonic acid?
The InChIKey is OHLKPTITYPBHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32O6P2/c1-5-23(6-2,31(25,26)27)21-14-13-19-15-17-11-9-10-12-18(17)16-20(19)22(21)24(7-3,8-4)32(28,29)30/h9-16H,5-8H2,1-4H3,(H2,25,26,27)(H2,28,29,30).
What are the key properties of [1-ethyl-1-[2-(3-phosphonopentan-3-yl)anthracen-1-yl]propyl]phosphonic acid?
[1-ethyl-1-[2-(3-phosphonopentan-3-yl)anthracen-1-yl]propyl]phosphonic acid has a molecular weight of 478.46 g/mol, XLogP of 6.38, 8 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-1-[2-(3-phosphonopentan-3-yl)anthracen-1-yl]propyl]phosphonic acid is sourced from PubChem (CID 126564288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).