ethyl 4-[2-(2-iodophosphanyloxyethoxy)ethoxymethyl]naphthalene-1-carboxylate

C18H22IO5P — CID 134275218

IUPACethyl 4-[2-(2-iodophosphanyloxyethoxy)ethoxymethyl]naphthalene-1-carboxylate
SMILESCCOC(=O)c1ccc(COCCOCCOPI)c2ccccc12
InChIInChI=1S/C18H22IO5P/c1-2-23-18(20)17-8-7-14(15-5-3-4-6-16(15)17)13-22-10-9-21-11-12-24-25-19/h3-8,25H,2,9-13H2,1H3
InChIKeyVHPOPRDEHZEZIR-UHFFFAOYSA-N
MW476.25 g/mol
LogP4.51
Rot. Bonds11

About ethyl 4-[2-(2-iodophosphanyloxyethoxy)ethoxymethyl]naphthalene-1-carboxylate

ethyl 4-[2-(2-iodophosphanyloxyethoxy)ethoxymethyl]naphthalene-1-carboxylate (PubChem CID 134275218) has the molecular formula C18H22IO5P and a molecular weight of 476.25 g/mol. Its IUPAC name is ethyl 4-[2-(2-iodophosphanyloxyethoxy)ethoxymethyl]naphthalene-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(2-iodophosphanyloxyethoxy)ethoxymethyl]naphthalene-1-carboxylate
PubChem CID134275218
Molecular FormulaC18H22IO5P
Molecular Weight476.25 g/mol
Exact Mass476.02
IUPAC Nameethyl 4-[2-(2-iodophosphanyloxyethoxy)ethoxymethyl]naphthalene-1-carboxylate
SMILESCCOC(=O)c1ccc(COCCOCCOPI)c2ccccc12
InChIInChI=1S/C18H22IO5P/c1-2-23-18(20)17-8-7-14(15-5-3-4-6-16(15)17)13-22-10-9-21-11-12-24-25-19/h3-8,25H,2,9-13H2,1H3
InChIKeyVHPOPRDEHZEZIR-UHFFFAOYSA-N
XLogP4.51
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.25
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 4-[2-(2-iodophosphanyloxyethoxy)ethoxymethyl]naphthalene-1-carboxylate 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

ethyl 4-(2-propoxyethoxymethyl)naphthalene-1-carboxylate
CID 159629357
methyl 2-[2-(2-iodophosphanyloxyethoxy)ethoxymethyl]benzoate
CID 134275170
ethyl 2-amino-4-(2-ethoxyethoxymethyl)-3-methylbenzoate
CID 79071349
dipropyl naphthalene-1,4-dicarboxylate
CID 139070160
ethyl chrysene-1-carboxylate
CID 86251232
propyl 2-amino-4-(2-ethoxyethoxymethyl)-3-methylbenzoate
CID 79082161
methyl 4-(aminomethyl)naphthalene-1-carboxylate;hydrochloride
CID 67187321
ethyl 4-(3-methylpyrazin-2-yl)naphthalene-1-carboxylate
CID 174669716
1,5-bis(ethoxycarbonyl)naphthalene-2-carboxylic acid
CID 20562968
ethyl 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate
CID 10448213
diethyl phenanthrene-9,10-dicarboxylate
CID 135029572
ethyl 4-[2-[4-[2-(4-dodec-1-ynylnaphthalen-1-yl)ethynyl]naphthalen-1-yl]ethynyl]naphthalene-1-carboxylate
CID 71696773

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(2-iodophosphanyloxyethoxy)ethoxymethyl]naphthalene-1-carboxylate?
The IUPAC name of ethyl 4-[2-(2-iodophosphanyloxyethoxy)ethoxymethyl]naphthalene-1-carboxylate (CID 134275218) is ethyl 4-[2-(2-iodophosphanyloxyethoxy)ethoxymethyl]naphthalene-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(2-iodophosphanyloxyethoxy)ethoxymethyl]naphthalene-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(2-iodophosphanyloxyethoxy)ethoxymethyl]naphthalene-1-carboxylate is CCOC(=O)c1ccc(COCCOCCOPI)c2ccccc12.
What is the InChIKey of ethyl 4-[2-(2-iodophosphanyloxyethoxy)ethoxymethyl]naphthalene-1-carboxylate?
The InChIKey is VHPOPRDEHZEZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22IO5P/c1-2-23-18(20)17-8-7-14(15-5-3-4-6-16(15)17)13-22-10-9-21-11-12-24-25-19/h3-8,25H,2,9-13H2,1H3.
What are the key properties of ethyl 4-[2-(2-iodophosphanyloxyethoxy)ethoxymethyl]naphthalene-1-carboxylate?
ethyl 4-[2-(2-iodophosphanyloxyethoxy)ethoxymethyl]naphthalene-1-carboxylate has a molecular weight of 476.25 g/mol, XLogP of 4.51, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(2-iodophosphanyloxyethoxy)ethoxymethyl]naphthalene-1-carboxylate is sourced from PubChem (CID 134275218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).