4-iodo-2,5-dimethoxyphenol

C8H9IO3 — CID 10850321

IUPAC4-iodo-2,5-dimethoxyphenol
SMILESCOc1cc(I)c(OC)cc1O
InChIInChI=1S/C8H9IO3/c1-11-7-4-6(10)8(12-2)3-5(7)9/h3-4,10H,1-2H3
InChIKeyYDOVPVLELMQBOP-UHFFFAOYSA-N
MW280.06 g/mol
LogP2.01
Rot. Bonds2

About 4-iodo-2,5-dimethoxyphenol

4-iodo-2,5-dimethoxyphenol (PubChem CID 10850321) has the molecular formula C8H9IO3 and a molecular weight of 280.06 g/mol. Its IUPAC name is 4-iodo-2,5-dimethoxyphenol.

Molecular Properties

Compound Name4-iodo-2,5-dimethoxyphenol
PubChem CID10850321
Molecular FormulaC8H9IO3
Molecular Weight280.06 g/mol
Exact Mass279.96
IUPAC Name4-iodo-2,5-dimethoxyphenol
SMILESCOc1cc(I)c(OC)cc1O
InChIInChI=1S/C8H9IO3/c1-11-7-4-6(10)8(12-2)3-5(7)9/h3-4,10H,1-2H3
InChIKeyYDOVPVLELMQBOP-UHFFFAOYSA-N
XLogP2.01
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.06
LogP ≤ 52.01
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

4-iodo-5-methoxy-2-methylphenol
CID 166815772
5-methoxybenzene-1,2,4-triol
CID 20551665
(4-hydroxy-2-iodo-5-methoxyphenyl) acetate
CID 163968493
4-(1-ethoxyethoxy)-5-iodo-2-methoxyphenol
CID 166892200
1-tert-butyl-4-iodo-2,5-dimethoxybenzene
CID 18788666
5-iodo-2,4-dimethoxybenzenethiol
CID 91874704
8-iodo-6-methoxy-5-(5,6,8-trihydroxy-4-iodo-2-methoxynaphthalen-1-yl)naphthalene-1,2,4-triol
CID 130383939
4-(1-aminoethyl)-2,5-dimethoxyphenol
CID 117287023
2-methoxy-5-propylbenzene-1,4-diol
CID 5314475
(2-iodo-4,5-dimethoxyphenyl) acetate
CID 171366364
8-methoxydibenzo-p-dioxin-2,3,7-triol
CID 71171145
2,6-diiodo-3,5-dimethoxyphenol
CID 10501483

Frequently Asked Questions

What is the IUPAC name of 4-iodo-2,5-dimethoxyphenol?
The IUPAC name of 4-iodo-2,5-dimethoxyphenol (CID 10850321) is 4-iodo-2,5-dimethoxyphenol.
What is the SMILES notation for 4-iodo-2,5-dimethoxyphenol?
The canonical SMILES for 4-iodo-2,5-dimethoxyphenol is COc1cc(I)c(OC)cc1O.
What is the InChIKey of 4-iodo-2,5-dimethoxyphenol?
The InChIKey is YDOVPVLELMQBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9IO3/c1-11-7-4-6(10)8(12-2)3-5(7)9/h3-4,10H,1-2H3.
What are the key properties of 4-iodo-2,5-dimethoxyphenol?
4-iodo-2,5-dimethoxyphenol has a molecular weight of 280.06 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-2,5-dimethoxyphenol is sourced from PubChem (CID 10850321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).