(5-acetyl-2-hydroxyphenyl)astatine

C8H7AtO2 — CID 177043145

IUPAC(5-acetyl-2-hydroxyphenyl)astatine
SMILESCC(=O)c1ccc(O)c([At])c1
InChIInChI=1S/C8H7AtO2/c1-5(10)6-2-3-8(11)7(9)4-6/h2-4,11H,1H3
InChIKeyNQKBOLYTBAWTMR-UHFFFAOYSA-N
MW345.14 g/mol
LogP0.77
Rot. Bonds1

About (5-acetyl-2-hydroxyphenyl)astatine

(5-acetyl-2-hydroxyphenyl)astatine (PubChem CID 177043145) has the molecular formula C8H7AtO2 and a molecular weight of 345.14 g/mol. Its IUPAC name is (5-acetyl-2-hydroxyphenyl)astatine.

Molecular Properties

Compound Name(5-acetyl-2-hydroxyphenyl)astatine
PubChem CID177043145
Molecular FormulaC8H7AtO2
Molecular Weight345.14 g/mol
Exact Mass345.03
IUPAC Name(5-acetyl-2-hydroxyphenyl)astatine
SMILESCC(=O)c1ccc(O)c([At])c1
InChIInChI=1S/C8H7AtO2/c1-5(10)6-2-3-8(11)7(9)4-6/h2-4,11H,1H3
InChIKeyNQKBOLYTBAWTMR-UHFFFAOYSA-N
XLogP0.77
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.14
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(4-acetylphenyl)ethanone;methane
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1-[3-hydroxy-4-(hydroxymethyl)phenyl]ethanone
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5-acetyl-2-hydroxy-N-methylbenzenesulfonamide
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1-(3-hydroxy-4-methylsulfonylphenyl)ethanone
CID 47003472
1-(7-acetylanthracen-2-yl)ethanone
CID 139364083
1-[4-hydroxy-3-[[methyl(propan-2-yl)amino]methyl]phenyl]ethanone
CID 43788355
(5-acetyl-2-hydroxyphenyl)thiourea
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1-(4-hydroxyphenyl)ethanone;phosphane
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Frequently Asked Questions

What is the IUPAC name of (5-acetyl-2-hydroxyphenyl)astatine?
The IUPAC name of (5-acetyl-2-hydroxyphenyl)astatine (CID 177043145) is (5-acetyl-2-hydroxyphenyl)astatine.
What is the SMILES notation for (5-acetyl-2-hydroxyphenyl)astatine?
The canonical SMILES for (5-acetyl-2-hydroxyphenyl)astatine is CC(=O)c1ccc(O)c([At])c1.
What is the InChIKey of (5-acetyl-2-hydroxyphenyl)astatine?
The InChIKey is NQKBOLYTBAWTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7AtO2/c1-5(10)6-2-3-8(11)7(9)4-6/h2-4,11H,1H3.
What are the key properties of (5-acetyl-2-hydroxyphenyl)astatine?
(5-acetyl-2-hydroxyphenyl)astatine has a molecular weight of 345.14 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-acetyl-2-hydroxyphenyl)astatine is sourced from PubChem (CID 177043145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).