dimethyl 4-hydroxy-2-(2-iodophenyl)naphthalene-1,3-dicarboxylate

C20H15IO5 — CID 132535420

IUPACdimethyl 4-hydroxy-2-(2-iodophenyl)naphthalene-1,3-dicarboxylate
SMILESCOC(=O)c1c(-c2ccccc2I)c(C(=O)OC)c2ccccc2c1O
InChIInChI=1S/C20H15IO5/c1-25-19(23)16-11-7-3-4-8-12(11)18(22)17(20(24)26-2)15(16)13-9-5-6-10-14(13)21/h3-10,22H,1-2H3
InChIKeyRIMNCKJOMLMAFM-UHFFFAOYSA-N
MW462.24 g/mol
LogP4.39
Rot. Bonds3

About dimethyl 4-hydroxy-2-(2-iodophenyl)naphthalene-1,3-dicarboxylate

dimethyl 4-hydroxy-2-(2-iodophenyl)naphthalene-1,3-dicarboxylate (PubChem CID 132535420) has the molecular formula C20H15IO5 and a molecular weight of 462.24 g/mol. Its IUPAC name is dimethyl 4-hydroxy-2-(2-iodophenyl)naphthalene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-hydroxy-2-(2-iodophenyl)naphthalene-1,3-dicarboxylate
PubChem CID132535420
Molecular FormulaC20H15IO5
Molecular Weight462.24 g/mol
Exact Mass462.00
IUPAC Namedimethyl 4-hydroxy-2-(2-iodophenyl)naphthalene-1,3-dicarboxylate
SMILESCOC(=O)c1c(-c2ccccc2I)c(C(=O)OC)c2ccccc2c1O
InChIInChI=1S/C20H15IO5/c1-25-19(23)16-11-7-3-4-8-12(11)18(22)17(20(24)26-2)15(16)13-9-5-6-10-14(13)21/h3-10,22H,1-2H3
InChIKeyRIMNCKJOMLMAFM-UHFFFAOYSA-N
XLogP4.39
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.24
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl 4-hydroxy-2-(2-iodophenyl)naphthalene-1,3-dicarboxylate?
The IUPAC name of dimethyl 4-hydroxy-2-(2-iodophenyl)naphthalene-1,3-dicarboxylate (CID 132535420) is dimethyl 4-hydroxy-2-(2-iodophenyl)naphthalene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 4-hydroxy-2-(2-iodophenyl)naphthalene-1,3-dicarboxylate?
The canonical SMILES for dimethyl 4-hydroxy-2-(2-iodophenyl)naphthalene-1,3-dicarboxylate is COC(=O)c1c(-c2ccccc2I)c(C(=O)OC)c2ccccc2c1O.
What is the InChIKey of dimethyl 4-hydroxy-2-(2-iodophenyl)naphthalene-1,3-dicarboxylate?
The InChIKey is RIMNCKJOMLMAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15IO5/c1-25-19(23)16-11-7-3-4-8-12(11)18(22)17(20(24)26-2)15(16)13-9-5-6-10-14(13)21/h3-10,22H,1-2H3.
What are the key properties of dimethyl 4-hydroxy-2-(2-iodophenyl)naphthalene-1,3-dicarboxylate?
dimethyl 4-hydroxy-2-(2-iodophenyl)naphthalene-1,3-dicarboxylate has a molecular weight of 462.24 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-hydroxy-2-(2-iodophenyl)naphthalene-1,3-dicarboxylate is sourced from PubChem (CID 132535420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).