1-(3-bromo-2-hydroxyphenyl)-2-hydroxyethanone

C8H7BrO3 — CID 19913824

IUPAC1-(3-bromo-2-hydroxyphenyl)-2-hydroxyethanone
SMILESO=C(CO)c1cccc(Br)c1O
InChIInChI=1S/C8H7BrO3/c9-6-3-1-2-5(8(6)12)7(11)4-10/h1-3,10,12H,4H2
InChIKeyXPAUDUTURHQMAM-UHFFFAOYSA-N
MW231.04 g/mol
LogP1.33
Rot. Bonds2

About 1-(3-bromo-2-hydroxyphenyl)-2-hydroxyethanone

1-(3-bromo-2-hydroxyphenyl)-2-hydroxyethanone (PubChem CID 19913824) has the molecular formula C8H7BrO3 and a molecular weight of 231.04 g/mol. Its IUPAC name is 1-(3-bromo-2-hydroxyphenyl)-2-hydroxyethanone.

Molecular Properties

Compound Name1-(3-bromo-2-hydroxyphenyl)-2-hydroxyethanone
PubChem CID19913824
Molecular FormulaC8H7BrO3
Molecular Weight231.04 g/mol
Exact Mass229.96
IUPAC Name1-(3-bromo-2-hydroxyphenyl)-2-hydroxyethanone
SMILESO=C(CO)c1cccc(Br)c1O
InChIInChI=1S/C8H7BrO3/c9-6-3-1-2-5(8(6)12)7(11)4-10/h1-3,10,12H,4H2
InChIKeyXPAUDUTURHQMAM-UHFFFAOYSA-N
XLogP1.33
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.04
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-2-hydroxybenzoic acid
CID 520927
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CID 130883630
2-bromo-1-(2-bromophenyl)ethanone
CID 2737522
1-(2-bromophenyl)-5-hydroxypentane-1,4-dione
CID 125478285
(E)-1-(3-bromo-2-hydroxyphenyl)-3-(dimethylamino)prop-2-en-1-one
CID 175406872
1,4-bis(2-hydroxyphenyl)butane-1,4-dione
CID 3624355
3-amino-1-(3-fluoro-2-hydroxyphenyl)propan-1-one
CID 82601573
1-(2-bromo-4-chlorophenyl)-2-hydroxyethanone
CID 157216536
3-bromo-2-hydroxycyclohepta-2,4,6-trien-1-one;copper
CID 88781371
2-amino-1-(2,3-dihydroxyphenyl)ethanone
CID 89392484
2-bromo-6-(2-hydroxyethyl)phenol
CID 57283538
2-hydroxy-1-[2-(2-hydroxyacetyl)-3-phenylphenyl]ethanone
CID 173305848

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-hydroxyphenyl)-2-hydroxyethanone?
The IUPAC name of 1-(3-bromo-2-hydroxyphenyl)-2-hydroxyethanone (CID 19913824) is 1-(3-bromo-2-hydroxyphenyl)-2-hydroxyethanone.
What is the SMILES notation for 1-(3-bromo-2-hydroxyphenyl)-2-hydroxyethanone?
The canonical SMILES for 1-(3-bromo-2-hydroxyphenyl)-2-hydroxyethanone is O=C(CO)c1cccc(Br)c1O.
What is the InChIKey of 1-(3-bromo-2-hydroxyphenyl)-2-hydroxyethanone?
The InChIKey is XPAUDUTURHQMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrO3/c9-6-3-1-2-5(8(6)12)7(11)4-10/h1-3,10,12H,4H2.
What are the key properties of 1-(3-bromo-2-hydroxyphenyl)-2-hydroxyethanone?
1-(3-bromo-2-hydroxyphenyl)-2-hydroxyethanone has a molecular weight of 231.04 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-hydroxyphenyl)-2-hydroxyethanone is sourced from PubChem (CID 19913824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).