(2-hydroxy-4,6-dimethoxyphenyl)-(2-iodo-4,5-dimethoxyphenyl)methanone

C17H17IO6 — CID 72947607

IUPAC(2-hydroxy-4,6-dimethoxyphenyl)-(2-iodo-4,5-dimethoxyphenyl)methanone
SMILESCOc1cc(O)c(C(=O)c2cc(OC)c(OC)cc2I)c(OC)c1
InChIInChI=1S/C17H17IO6/c1-21-9-5-12(19)16(15(6-9)24-4)17(20)10-7-13(22-2)14(23-3)8-11(10)18/h5-8,19H,1-4H3
InChIKeyYELPDSOMTPPKRW-UHFFFAOYSA-N
MW444.22 g/mol
LogP3.26
Rot. Bonds6

About (2-hydroxy-4,6-dimethoxyphenyl)-(2-iodo-4,5-dimethoxyphenyl)methanone

(2-hydroxy-4,6-dimethoxyphenyl)-(2-iodo-4,5-dimethoxyphenyl)methanone (PubChem CID 72947607) has the molecular formula C17H17IO6 and a molecular weight of 444.22 g/mol. Its IUPAC name is (2-hydroxy-4,6-dimethoxyphenyl)-(2-iodo-4,5-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name(2-hydroxy-4,6-dimethoxyphenyl)-(2-iodo-4,5-dimethoxyphenyl)methanone
PubChem CID72947607
Molecular FormulaC17H17IO6
Molecular Weight444.22 g/mol
Exact Mass444.01
IUPAC Name(2-hydroxy-4,6-dimethoxyphenyl)-(2-iodo-4,5-dimethoxyphenyl)methanone
SMILESCOc1cc(O)c(C(=O)c2cc(OC)c(OC)cc2I)c(OC)c1
InChIInChI=1S/C17H17IO6/c1-21-9-5-12(19)16(15(6-9)24-4)17(20)10-7-13(22-2)14(23-3)8-11(10)18/h5-8,19H,1-4H3
InChIKeyYELPDSOMTPPKRW-UHFFFAOYSA-N
XLogP3.26
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.22
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2-hydroxy-4,6-dimethoxyphenyl)-(2-iodo-4,5-dimethoxyphenyl)methanone 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-1-(2-hydroxy-4,6-dimethoxyphenyl)propan-1-one
CID 10955251
(2,6-dihydroxy-4-methoxyphenyl)-(4-hydroxy-2-methoxy-6-methylphenyl)methanone
CID 23757122
(E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
CID 70696711
bis(2,4-dimethoxy-6-methylphenyl)methanone
CID 54389353
2-(4-bromophenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)ethanone
CID 1268029
1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-hydroxyphenyl)propane-1,3-dione
CID 90718650
(Z)-1-hydroxy-1-(2-hydroxy-4,6-dimethoxyphenyl)pent-1-en-3-one
CID 10857946
1-(2,4-dimethoxyphenyl)-2-(2-hydroxy-4-methoxyphenyl)ethane-1,2-dione
CID 14018354
(2-bromo-4,6-dimethoxyphenyl)-(3-bromo-5-methylphenyl)methanone
CID 104851039
2-oxo-2-(2,4,6-trimethoxyphenyl)acetaldehyde
CID 7578619
(2,3-dihydroxy-4-methoxyphenyl)-(2,4,6-trihydroxyphenyl)methanone
CID 19910404
(3,5-diaminophenyl)-[4-(4-fluorophenoxy)-2-hydroxy-6-methoxyphenyl]methanone
CID 151234813

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-4,6-dimethoxyphenyl)-(2-iodo-4,5-dimethoxyphenyl)methanone?
The IUPAC name of (2-hydroxy-4,6-dimethoxyphenyl)-(2-iodo-4,5-dimethoxyphenyl)methanone (CID 72947607) is (2-hydroxy-4,6-dimethoxyphenyl)-(2-iodo-4,5-dimethoxyphenyl)methanone.
What is the SMILES notation for (2-hydroxy-4,6-dimethoxyphenyl)-(2-iodo-4,5-dimethoxyphenyl)methanone?
The canonical SMILES for (2-hydroxy-4,6-dimethoxyphenyl)-(2-iodo-4,5-dimethoxyphenyl)methanone is COc1cc(O)c(C(=O)c2cc(OC)c(OC)cc2I)c(OC)c1.
What is the InChIKey of (2-hydroxy-4,6-dimethoxyphenyl)-(2-iodo-4,5-dimethoxyphenyl)methanone?
The InChIKey is YELPDSOMTPPKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17IO6/c1-21-9-5-12(19)16(15(6-9)24-4)17(20)10-7-13(22-2)14(23-3)8-11(10)18/h5-8,19H,1-4H3.
What are the key properties of (2-hydroxy-4,6-dimethoxyphenyl)-(2-iodo-4,5-dimethoxyphenyl)methanone?
(2-hydroxy-4,6-dimethoxyphenyl)-(2-iodo-4,5-dimethoxyphenyl)methanone has a molecular weight of 444.22 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-4,6-dimethoxyphenyl)-(2-iodo-4,5-dimethoxyphenyl)methanone is sourced from PubChem (CID 72947607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).