2-[(4-hydroxy-3,5-diiodophenyl)methoxycarbonyl]cyclohexane-1-carboxylic acid

C15H16I2O5 — CID 171737166

IUPAC2-[(4-hydroxy-3,5-diiodophenyl)methoxycarbonyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C(=O)OCc1cc(I)c(O)c(I)c1
InChIInChI=1S/C15H16I2O5/c16-11-5-8(6-12(17)13(11)18)7-22-15(21)10-4-2-1-3-9(10)14(19)20/h5-6,9-10,18H,1-4,7H2,(H,19,20)
InChIKeyOPCLZGFAHFUIRV-UHFFFAOYSA-N
MW530.10 g/mol
LogP3.54
Rot. Bonds4

About 2-[(4-hydroxy-3,5-diiodophenyl)methoxycarbonyl]cyclohexane-1-carboxylic acid

2-[(4-hydroxy-3,5-diiodophenyl)methoxycarbonyl]cyclohexane-1-carboxylic acid (PubChem CID 171737166) has the molecular formula C15H16I2O5 and a molecular weight of 530.10 g/mol. Its IUPAC name is 2-[(4-hydroxy-3,5-diiodophenyl)methoxycarbonyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(4-hydroxy-3,5-diiodophenyl)methoxycarbonyl]cyclohexane-1-carboxylic acid
PubChem CID171737166
Molecular FormulaC15H16I2O5
Molecular Weight530.10 g/mol
Exact Mass529.91
IUPAC Name2-[(4-hydroxy-3,5-diiodophenyl)methoxycarbonyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C(=O)OCc1cc(I)c(O)c(I)c1
InChIInChI=1S/C15H16I2O5/c16-11-5-8(6-12(17)13(11)18)7-22-15(21)10-4-2-1-3-9(10)14(19)20/h5-6,9-10,18H,1-4,7H2,(H,19,20)
InChIKeyOPCLZGFAHFUIRV-UHFFFAOYSA-N
XLogP3.54
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.10
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(4-hydroxy-3,5-diiodophenyl)methoxycarbonyl]cyclohexane-1-carboxylic 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

2-[(4-hydroxy-3-iodo-5-methylphenyl)methoxycarbonyl]cyclohexane-1-carboxylic acid
CID 174247178
cis-(1R,2S)-2-[(4-hydroxy-3,5-diiodophenyl)methyl]cyclohexane-1-carboxylic acid
CID 76964833
cis-(1R,2S)-2-[2-[(1R,2R)-2-carboxycyclohexanecarbonyl]oxyethoxycarbonyl]cyclohexane-1-carboxylic acid
CID 7052272
2-O-benzyl 1-O-ethyl cyclohexane-1,2-dicarboxylate
CID 138567000
tris(ethane-1,2-diol);2-ethoxycarbonylcyclohexane-1-carboxylic acid
CID 67954498
cis-(3,5-diaminophenyl)methyl (1S,2R)-2-aminocyclohexane-1-carboxylate
CID 170211260
1-O-benzyl 2-O-(3-hydroxybutan-2-yl) cyclohexane-1,2-dicarboxylate
CID 129196193
cis-(1R,2S)-2-phenylmethoxycarbonylcyclopropane-1-carboxylic acid
CID 70818190
2-hexoxycarbonylcyclohexane-1-carboxylic acid
CID 66983530
cis-(1R,2S)-2-phenylmethoxycarbonylcyclobutane-1-carboxylate
CID 71378393
2-ethoxycarbonylcyclobutane-1-carboxylic acid
CID 19889622
1-O-benzyl 2-O-(2-hydroxy-2-methylpropanoyl) cyclohexane-1,2-dicarboxylate
CID 129196194

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxy-3,5-diiodophenyl)methoxycarbonyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(4-hydroxy-3,5-diiodophenyl)methoxycarbonyl]cyclohexane-1-carboxylic acid (CID 171737166) is 2-[(4-hydroxy-3,5-diiodophenyl)methoxycarbonyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(4-hydroxy-3,5-diiodophenyl)methoxycarbonyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(4-hydroxy-3,5-diiodophenyl)methoxycarbonyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCCCC1C(=O)OCc1cc(I)c(O)c(I)c1.
What is the InChIKey of 2-[(4-hydroxy-3,5-diiodophenyl)methoxycarbonyl]cyclohexane-1-carboxylic acid?
The InChIKey is OPCLZGFAHFUIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16I2O5/c16-11-5-8(6-12(17)13(11)18)7-22-15(21)10-4-2-1-3-9(10)14(19)20/h5-6,9-10,18H,1-4,7H2,(H,19,20).
What are the key properties of 2-[(4-hydroxy-3,5-diiodophenyl)methoxycarbonyl]cyclohexane-1-carboxylic acid?
2-[(4-hydroxy-3,5-diiodophenyl)methoxycarbonyl]cyclohexane-1-carboxylic acid has a molecular weight of 530.10 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxy-3,5-diiodophenyl)methoxycarbonyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 171737166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).