bis(iodomethyl) 5-hydroxybenzene-1,3-dicarboxylate

C10H8I2O5 — CID 130328658

IUPACbis(iodomethyl) 5-hydroxybenzene-1,3-dicarboxylate
SMILESO=C(OCI)c1cc(O)cc(C(=O)OCI)c1
InChIInChI=1S/C10H8I2O5/c11-4-16-9(14)6-1-7(3-8(13)2-6)10(15)17-5-12/h1-3,13H,4-5H2
InChIKeyLQNPFZREFKKBFY-UHFFFAOYSA-N
MW461.98 g/mol
LogP2.49
Rot. Bonds4

About bis(iodomethyl) 5-hydroxybenzene-1,3-dicarboxylate

bis(iodomethyl) 5-hydroxybenzene-1,3-dicarboxylate (PubChem CID 130328658) has the molecular formula C10H8I2O5 and a molecular weight of 461.98 g/mol. Its IUPAC name is bis(iodomethyl) 5-hydroxybenzene-1,3-dicarboxylate.

Molecular Properties

Compound Namebis(iodomethyl) 5-hydroxybenzene-1,3-dicarboxylate
PubChem CID130328658
Molecular FormulaC10H8I2O5
Molecular Weight461.98 g/mol
Exact Mass461.85
IUPAC Namebis(iodomethyl) 5-hydroxybenzene-1,3-dicarboxylate
SMILESO=C(OCI)c1cc(O)cc(C(=O)OCI)c1
InChIInChI=1S/C10H8I2O5/c11-4-16-9(14)6-1-7(3-8(13)2-6)10(15)17-5-12/h1-3,13H,4-5H2
InChIKeyLQNPFZREFKKBFY-UHFFFAOYSA-N
XLogP2.49
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.98
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze bis(iodomethyl) 5-hydroxybenzene-1,3-dicarboxylate 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-hydroxy-5-(2-hydroxyethoxycarbonyl)benzoic acid
CID 126612228
iodomethyl 3,4,5-trimethoxybenzoate
CID 19866330
bromoethane;dimethyl 5-hydroxybenzene-1,3-dicarboxylate
CID 175420883
ethyl 3-bromo-5-hydroxybenzoate
CID 11708561
[3-(3,5-dihydroxybenzoyl)oxy-2-[[3-(3,5-dihydroxybenzoyl)oxy-2,2-bis[(3,5-dihydroxybenzoyl)oxymethyl]propoxy]methyl]-2-[(3,5-dihydroxybenzoyl)oxymethyl]propyl] 3,5-dihydroxybenzoate
CID 158963214
(2-hydroxyphenyl)methyl 3,5-dihydroxybenzoate
CID 53320605
dipropyl 5-iodobenzene-1,3-dicarboxylate
CID 125479527
phosphanyl 3,5-dihydroxybenzoate
CID 67765668
3-O-[2-hydroxy-3-[4-(2-hydroxybutoxycarbonyl)benzoyl]oxypropyl] 1-O-methyl 5-hydroxybenzene-1,3-dicarboxylate
CID 162506450
3-(dimethylamino)propyl 3,5-dihydroxybenzoate
CID 178080897
methyl 3-carbonochloridoyl-5-hydroxybenzoate
CID 45081214
(4-tert-butylphenyl)methyl 3,5-dihydroxybenzoate
CID 137442324

Frequently Asked Questions

What is the IUPAC name of bis(iodomethyl) 5-hydroxybenzene-1,3-dicarboxylate?
The IUPAC name of bis(iodomethyl) 5-hydroxybenzene-1,3-dicarboxylate (CID 130328658) is bis(iodomethyl) 5-hydroxybenzene-1,3-dicarboxylate.
What is the SMILES notation for bis(iodomethyl) 5-hydroxybenzene-1,3-dicarboxylate?
The canonical SMILES for bis(iodomethyl) 5-hydroxybenzene-1,3-dicarboxylate is O=C(OCI)c1cc(O)cc(C(=O)OCI)c1.
What is the InChIKey of bis(iodomethyl) 5-hydroxybenzene-1,3-dicarboxylate?
The InChIKey is LQNPFZREFKKBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8I2O5/c11-4-16-9(14)6-1-7(3-8(13)2-6)10(15)17-5-12/h1-3,13H,4-5H2.
What are the key properties of bis(iodomethyl) 5-hydroxybenzene-1,3-dicarboxylate?
bis(iodomethyl) 5-hydroxybenzene-1,3-dicarboxylate has a molecular weight of 461.98 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(iodomethyl) 5-hydroxybenzene-1,3-dicarboxylate is sourced from PubChem (CID 130328658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).