1-(5-chloro-4-hydroxy-2-iodophenyl)ethanone

C8H6ClIO2 — CID 171008729

IUPAC1-(5-chloro-4-hydroxy-2-iodophenyl)ethanone
SMILESCC(=O)c1cc(Cl)c(O)cc1I
InChIInChI=1S/C8H6ClIO2/c1-4(11)5-2-6(9)8(12)3-7(5)10/h2-3,12H,1H3
InChIKeyMKBHUTSUFRKDPC-UHFFFAOYSA-N
MW296.49 g/mol
LogP2.85
Rot. Bonds1

About 1-(5-chloro-4-hydroxy-2-iodophenyl)ethanone

1-(5-chloro-4-hydroxy-2-iodophenyl)ethanone (PubChem CID 171008729) has the molecular formula C8H6ClIO2 and a molecular weight of 296.49 g/mol. Its IUPAC name is 1-(5-chloro-4-hydroxy-2-iodophenyl)ethanone.

Molecular Properties

Compound Name1-(5-chloro-4-hydroxy-2-iodophenyl)ethanone
PubChem CID171008729
Molecular FormulaC8H6ClIO2
Molecular Weight296.49 g/mol
Exact Mass295.91
IUPAC Name1-(5-chloro-4-hydroxy-2-iodophenyl)ethanone
SMILESCC(=O)c1cc(Cl)c(O)cc1I
InChIInChI=1S/C8H6ClIO2/c1-4(11)5-2-6(9)8(12)3-7(5)10/h2-3,12H,1H3
InChIKeyMKBHUTSUFRKDPC-UHFFFAOYSA-N
XLogP2.85
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.49
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(5-amino-4-chloro-2-iodophenyl)ethanone
CID 131577542
4-acetyl-2-chloro-5-iodobenzonitrile
CID 171009959
1-[5-chloro-2-iodo-4-(trifluoromethoxy)phenyl]ethanone
CID 171009086
1-(2-hydroxy-4-iodo-5-methylphenyl)ethanone
CID 58207836
1-[4-chloro-2-(difluoromethyl)-5-hydroxyphenyl]ethanone
CID 171007258
bis(5-chloro-2,4-dihydroxyphenyl)methanone
CID 101362885
1-(3,5-dichloro-2-iodophenyl)ethanone
CID 171006627
1-(3-chloro-2-iodo-5-methylphenyl)ethanone
CID 171003947
1-(2-chloro-5-fluoro-4-hydroxyphenyl)ethanone
CID 171003348
1-(5-bromo-2-iodo-4-methylphenyl)ethanone
CID 131429614
1-(4-chloro-2-hydroxy-6-iodophenyl)ethanone
CID 171008535
2-(5-chloro-4-hydroxy-2-methylphenyl)-2-oxoacetic acid
CID 117305831

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-4-hydroxy-2-iodophenyl)ethanone?
The IUPAC name of 1-(5-chloro-4-hydroxy-2-iodophenyl)ethanone (CID 171008729) is 1-(5-chloro-4-hydroxy-2-iodophenyl)ethanone.
What is the SMILES notation for 1-(5-chloro-4-hydroxy-2-iodophenyl)ethanone?
The canonical SMILES for 1-(5-chloro-4-hydroxy-2-iodophenyl)ethanone is CC(=O)c1cc(Cl)c(O)cc1I.
What is the InChIKey of 1-(5-chloro-4-hydroxy-2-iodophenyl)ethanone?
The InChIKey is MKBHUTSUFRKDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClIO2/c1-4(11)5-2-6(9)8(12)3-7(5)10/h2-3,12H,1H3.
What are the key properties of 1-(5-chloro-4-hydroxy-2-iodophenyl)ethanone?
1-(5-chloro-4-hydroxy-2-iodophenyl)ethanone has a molecular weight of 296.49 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-4-hydroxy-2-iodophenyl)ethanone is sourced from PubChem (CID 171008729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).