1-(2-hydroxy-3-iodo-5-methylphenyl)ethanone

C9H9IO2 — CID 15495651

IUPAC1-(2-hydroxy-3-iodo-5-methylphenyl)ethanone
SMILESCC(=O)c1cc(C)cc(I)c1O
InChIInChI=1S/C9H9IO2/c1-5-3-7(6(2)11)9(12)8(10)4-5/h3-4,12H,1-2H3
InChIKeyNMPNGTUUGZXHTA-UHFFFAOYSA-N
MW276.07 g/mol
LogP2.51
Rot. Bonds1

About 1-(2-hydroxy-3-iodo-5-methylphenyl)ethanone

1-(2-hydroxy-3-iodo-5-methylphenyl)ethanone (PubChem CID 15495651) has the molecular formula C9H9IO2 and a molecular weight of 276.07 g/mol. Its IUPAC name is 1-(2-hydroxy-3-iodo-5-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(2-hydroxy-3-iodo-5-methylphenyl)ethanone
PubChem CID15495651
Molecular FormulaC9H9IO2
Molecular Weight276.07 g/mol
Exact Mass275.96
IUPAC Name1-(2-hydroxy-3-iodo-5-methylphenyl)ethanone
SMILESCC(=O)c1cc(C)cc(I)c1O
InChIInChI=1S/C9H9IO2/c1-5-3-7(6(2)11)9(12)8(10)4-5/h3-4,12H,1-2H3
InChIKeyNMPNGTUUGZXHTA-UHFFFAOYSA-N
XLogP2.51
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.07
LogP ≤ 52.51
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

2,6-diiodo-4-methylphenol
CID 4541084
1-(3-acetyl-2-hydroxy-5-methylphenyl)ethanone;dichloromethane
CID 159502600
3-acetyl-2-hydroxy-5-methylbenzoyl chloride
CID 119092353
1-(3-bromo-2-iodo-5-methylphenyl)ethanone
CID 131429622
1-(3-chloro-2-iodo-5-methylphenyl)ethanone
CID 171003947
2-fluoro-3-(2-hydroxy-3-iodo-5-methylbenzoyl)oxy-2-methylpropanoic acid
CID 156523088
(E)-3-(3,4-dimethoxyphenyl)-1-(2-hydroxy-3-iodo-5-methylphenyl)prop-2-en-1-one
CID 11101941
1-(2,3,4-trihydroxy-5-methylphenyl)ethanone
CID 56838439
1-(2-hydroxy-4-iodo-5-methylphenyl)ethanone
CID 58207836
N-(3-acetyl-2-hydroxy-5-methylphenyl)-2-cyanoacetamide
CID 168520579
ethane;1-(2,3,5-trimethylphenyl)ethanone
CID 145375991
(2-hydroxy-3-iodo-5-methylphenyl)boronic acid
CID 130141621

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3-iodo-5-methylphenyl)ethanone?
The IUPAC name of 1-(2-hydroxy-3-iodo-5-methylphenyl)ethanone (CID 15495651) is 1-(2-hydroxy-3-iodo-5-methylphenyl)ethanone.
What is the SMILES notation for 1-(2-hydroxy-3-iodo-5-methylphenyl)ethanone?
The canonical SMILES for 1-(2-hydroxy-3-iodo-5-methylphenyl)ethanone is CC(=O)c1cc(C)cc(I)c1O.
What is the InChIKey of 1-(2-hydroxy-3-iodo-5-methylphenyl)ethanone?
The InChIKey is NMPNGTUUGZXHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9IO2/c1-5-3-7(6(2)11)9(12)8(10)4-5/h3-4,12H,1-2H3.
What are the key properties of 1-(2-hydroxy-3-iodo-5-methylphenyl)ethanone?
1-(2-hydroxy-3-iodo-5-methylphenyl)ethanone has a molecular weight of 276.07 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-3-iodo-5-methylphenyl)ethanone is sourced from PubChem (CID 15495651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).