(4-hydroxy-3,5-diiodophenyl)-(2-methyl-1-benzofuran-3-yl)methanone

C16H10I2O3 — CID 10164183

IUPAC(4-hydroxy-3,5-diiodophenyl)-(2-methyl-1-benzofuran-3-yl)methanone
SMILESCc1oc2ccccc2c1C(=O)c1cc(I)c(O)c(I)c1
InChIInChI=1S/C16H10I2O3/c1-8-14(10-4-2-3-5-13(10)21-8)15(19)9-6-11(17)16(20)12(18)7-9/h2-7,20H,1H3
InChIKeyQLUUKNMPBTWGBB-UHFFFAOYSA-N
MW504.06 g/mol
LogP4.89
Rot. Bonds2

About (4-hydroxy-3,5-diiodophenyl)-(2-methyl-1-benzofuran-3-yl)methanone

(4-hydroxy-3,5-diiodophenyl)-(2-methyl-1-benzofuran-3-yl)methanone (PubChem CID 10164183) has the molecular formula C16H10I2O3 and a molecular weight of 504.06 g/mol. Its IUPAC name is (4-hydroxy-3,5-diiodophenyl)-(2-methyl-1-benzofuran-3-yl)methanone.

Molecular Properties

Compound Name(4-hydroxy-3,5-diiodophenyl)-(2-methyl-1-benzofuran-3-yl)methanone
PubChem CID10164183
Molecular FormulaC16H10I2O3
Molecular Weight504.06 g/mol
Exact Mass503.87
IUPAC Name(4-hydroxy-3,5-diiodophenyl)-(2-methyl-1-benzofuran-3-yl)methanone
SMILESCc1oc2ccccc2c1C(=O)c1cc(I)c(O)c(I)c1
InChIInChI=1S/C16H10I2O3/c1-8-14(10-4-2-3-5-13(10)21-8)15(19)9-6-11(17)16(20)12(18)7-9/h2-7,20H,1H3
InChIKeyQLUUKNMPBTWGBB-UHFFFAOYSA-N
XLogP4.89
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.06
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-[3-(4-hydroxy-3,5-diiodobenzoyl)-1-benzofuran-2-yl]propanoate
CID 18355460
(2-methoxyphenyl)-(2-methyl-1-benzofuran-3-yl)methanone
CID 14018362
1-(2-methyl-1-benzofuran-3-yl)butan-1-one
CID 139824146
(3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-5-hydroxy-1-benzofuran-3-yl)methanone;(3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-6-methyl-1-benzofuran-3-yl)methanone;(2-ethyl-1-benzofuran-3-yl)-(4-hydroxy-3,5-diiodophenyl)methanone;(4-hydroxy-3,5-diiodophenyl)-(2-methyl-1-benzofuran-3-yl)methanone;(4-hydroxy-3,5-diiodophenyl)-[2-(2-methylpropyl)-1-benzofuran-3-yl]methanone;(4-hydroxy-3-iodophenyl)-(2-methyl-1-benzofuran-3-yl)methanone
CID 159924231
1-(2-ethyl-1-benzofuran-3-yl)-2-(4-hydroxy-3,5-diiodophenyl)ethanone
CID 10602323
3-(3,5-dibromo-4-hydroxybenzoyl)-2-methyl-N-phenyl-1-benzofuran-6-sulfonamide
CID 59106080
(5-methoxy-2-methyl-1-benzofuran-3-yl)-phenylmethanone
CID 900013
(3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-1-benzofuran-3-yl)methanone;molecular hydrogen
CID 158208246
(2-methyl-1-benzofuran-3-yl)-piperidin-1-ylmethanone
CID 110703112
(3-chloro-4-iodophenyl)-(2-ethyl-1-benzofuran-3-yl)methanone
CID 103219720
N-(4-carbamoylphenyl)-2-methyl-1-benzofuran-3-carboxamide
CID 110703184
N-(2,4-dimethoxyphenyl)-2-methyl-1-benzofuran-3-carboxamide
CID 110703181

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-3,5-diiodophenyl)-(2-methyl-1-benzofuran-3-yl)methanone?
The IUPAC name of (4-hydroxy-3,5-diiodophenyl)-(2-methyl-1-benzofuran-3-yl)methanone (CID 10164183) is (4-hydroxy-3,5-diiodophenyl)-(2-methyl-1-benzofuran-3-yl)methanone.
What is the SMILES notation for (4-hydroxy-3,5-diiodophenyl)-(2-methyl-1-benzofuran-3-yl)methanone?
The canonical SMILES for (4-hydroxy-3,5-diiodophenyl)-(2-methyl-1-benzofuran-3-yl)methanone is Cc1oc2ccccc2c1C(=O)c1cc(I)c(O)c(I)c1.
What is the InChIKey of (4-hydroxy-3,5-diiodophenyl)-(2-methyl-1-benzofuran-3-yl)methanone?
The InChIKey is QLUUKNMPBTWGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10I2O3/c1-8-14(10-4-2-3-5-13(10)21-8)15(19)9-6-11(17)16(20)12(18)7-9/h2-7,20H,1H3.
What are the key properties of (4-hydroxy-3,5-diiodophenyl)-(2-methyl-1-benzofuran-3-yl)methanone?
(4-hydroxy-3,5-diiodophenyl)-(2-methyl-1-benzofuran-3-yl)methanone has a molecular weight of 504.06 g/mol, XLogP of 4.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-3,5-diiodophenyl)-(2-methyl-1-benzofuran-3-yl)methanone is sourced from PubChem (CID 10164183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).