3-fluoro-2-iodo-6-methoxy-5-phenylphenol

C13H10FIO2 — CID 87824112

IUPAC3-fluoro-2-iodo-6-methoxy-5-phenylphenol
SMILESCOc1c(-c2ccccc2)cc(F)c(I)c1O
InChIInChI=1S/C13H10FIO2/c1-17-13-9(8-5-3-2-4-6-8)7-10(14)11(15)12(13)16/h2-7,16H,1H3
InChIKeyAAOJYSIYZXSZLC-UHFFFAOYSA-N
MW344.12 g/mol
LogP3.81
Rot. Bonds2

About 3-fluoro-2-iodo-6-methoxy-5-phenylphenol

3-fluoro-2-iodo-6-methoxy-5-phenylphenol (PubChem CID 87824112) has the molecular formula C13H10FIO2 and a molecular weight of 344.12 g/mol. Its IUPAC name is 3-fluoro-2-iodo-6-methoxy-5-phenylphenol.

Molecular Properties

Compound Name3-fluoro-2-iodo-6-methoxy-5-phenylphenol
PubChem CID87824112
Molecular FormulaC13H10FIO2
Molecular Weight344.12 g/mol
Exact Mass343.97
IUPAC Name3-fluoro-2-iodo-6-methoxy-5-phenylphenol
SMILESCOc1c(-c2ccccc2)cc(F)c(I)c1O
InChIInChI=1S/C13H10FIO2/c1-17-13-9(8-5-3-2-4-6-8)7-10(14)11(15)12(13)16/h2-7,16H,1H3
InChIKeyAAOJYSIYZXSZLC-UHFFFAOYSA-N
XLogP3.81
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.12
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-fluoro-2-iodo-6-methoxy-5-phenylphenol 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

4-methoxy-2,5-diphenylbenzene-1,3-diol
CID 53244203
1,3-difluoro-2-methoxy-5-phenylbenzene
CID 164892027
2-(6-amino-5-phenylpyridazin-3-yl)-6-fluorophenol;6-(3-fluoro-2-methoxyphenyl)-4-phenylpyridazin-3-amine
CID 161202830
2-methoxy-1,3-diphenyl-5-(trifluoromethyl)benzene
CID 146622594
1-iodo-2-methoxy-3-phenylbenzene
CID 164896113
2-methoxy-1,3-diphenylbenzene
CID 23524590
2-(3,4-dimethoxy-5-phenylphenyl)ethanamine
CID 82038802
3,4-dichloro-2-methoxy-5-phenylphenol
CID 133083818
2-(3-fluoro-4-phenylmethoxyphenyl)-5-(4-hydroxyphenyl)-6-methoxy-3-methylphenol
CID 23538563
3,4-dimethoxy-2-(4-methoxyphenyl)-5-phenylphenol
CID 139590135
2-fluoro-6-(3-methoxyphenyl)phenol
CID 171109408
3-methoxy-2-methyl-4-phenylphenol
CID 45097393

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-iodo-6-methoxy-5-phenylphenol?
The IUPAC name of 3-fluoro-2-iodo-6-methoxy-5-phenylphenol (CID 87824112) is 3-fluoro-2-iodo-6-methoxy-5-phenylphenol.
What is the SMILES notation for 3-fluoro-2-iodo-6-methoxy-5-phenylphenol?
The canonical SMILES for 3-fluoro-2-iodo-6-methoxy-5-phenylphenol is COc1c(-c2ccccc2)cc(F)c(I)c1O.
What is the InChIKey of 3-fluoro-2-iodo-6-methoxy-5-phenylphenol?
The InChIKey is AAOJYSIYZXSZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FIO2/c1-17-13-9(8-5-3-2-4-6-8)7-10(14)11(15)12(13)16/h2-7,16H,1H3.
What are the key properties of 3-fluoro-2-iodo-6-methoxy-5-phenylphenol?
3-fluoro-2-iodo-6-methoxy-5-phenylphenol has a molecular weight of 344.12 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-iodo-6-methoxy-5-phenylphenol is sourced from PubChem (CID 87824112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).