2-(2-bromo-5-methoxyphenyl)-2-hydroxy-1-phenylethanone

C15H13BrO3 — CID 150726546

IUPAC2-(2-bromo-5-methoxyphenyl)-2-hydroxy-1-phenylethanone
SMILESCOc1ccc(Br)c(C(O)C(=O)c2ccccc2)c1
InChIInChI=1S/C15H13BrO3/c1-19-11-7-8-13(16)12(9-11)15(18)14(17)10-5-3-2-4-6-10/h2-9,15,18H,1H3
InChIKeyJQYDQMODOXIBSZ-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.37
Rot. Bonds4

About 2-(2-bromo-5-methoxyphenyl)-2-hydroxy-1-phenylethanone

2-(2-bromo-5-methoxyphenyl)-2-hydroxy-1-phenylethanone (PubChem CID 150726546) has the molecular formula C15H13BrO3 and a molecular weight of 321.17 g/mol. Its IUPAC name is 2-(2-bromo-5-methoxyphenyl)-2-hydroxy-1-phenylethanone.

Molecular Properties

Compound Name2-(2-bromo-5-methoxyphenyl)-2-hydroxy-1-phenylethanone
PubChem CID150726546
Molecular FormulaC15H13BrO3
Molecular Weight321.17 g/mol
Exact Mass320.00
IUPAC Name2-(2-bromo-5-methoxyphenyl)-2-hydroxy-1-phenylethanone
SMILESCOc1ccc(Br)c(C(O)C(=O)c2ccccc2)c1
InChIInChI=1S/C15H13BrO3/c1-19-11-7-8-13(16)12(9-11)15(18)14(17)10-5-3-2-4-6-10/h2-9,15,18H,1H3
InChIKeyJQYDQMODOXIBSZ-UHFFFAOYSA-N
XLogP3.37
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2-bromo-5-methoxyphenyl)-2-hydroxyacetic acid
CID 131437530
2-(2-bromo-5-methoxyphenyl)-2-hydroxyacetic acid
CID 69148385
(R)-(2-bromo-5-methoxyphenyl)-phenylmethanol
CID 124575991
(2R)-2-(2-bromo-5-methoxyphenyl)-2-(methylamino)acetic acid
CID 124681138
(2S)-2-(2-bromo-5-methoxyphenyl)-2-(methylamino)acetic acid
CID 124681142
(2-bromo-5-methoxyphenyl)-(2,6-dimethoxyphenyl)methanol
CID 105131581
3-(2-bromo-5-methoxyphenyl)-2,3-dihydroxypropanamide
CID 171869396
2-(2,5-dimethoxyphenyl)-1-phenylbutane-1,3-dione
CID 102159626
2-(2-bromo-5-methoxyphenyl)-2-cyclopropylacetic acid
CID 175669181
3-(2-bromo-5-methoxyphenyl)-1-phenylpropan-1-one
CID 11392992
3-(2-bromo-5-methoxyphenyl)-1-phenylpropane-1,2-dione
CID 141009493
2-(3,5-dimethoxyphenyl)-2-hydroxy-1-phenylethanone phosphate
CID 19390355

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-methoxyphenyl)-2-hydroxy-1-phenylethanone?
The IUPAC name of 2-(2-bromo-5-methoxyphenyl)-2-hydroxy-1-phenylethanone (CID 150726546) is 2-(2-bromo-5-methoxyphenyl)-2-hydroxy-1-phenylethanone.
What is the SMILES notation for 2-(2-bromo-5-methoxyphenyl)-2-hydroxy-1-phenylethanone?
The canonical SMILES for 2-(2-bromo-5-methoxyphenyl)-2-hydroxy-1-phenylethanone is COc1ccc(Br)c(C(O)C(=O)c2ccccc2)c1.
What is the InChIKey of 2-(2-bromo-5-methoxyphenyl)-2-hydroxy-1-phenylethanone?
The InChIKey is JQYDQMODOXIBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrO3/c1-19-11-7-8-13(16)12(9-11)15(18)14(17)10-5-3-2-4-6-10/h2-9,15,18H,1H3.
What are the key properties of 2-(2-bromo-5-methoxyphenyl)-2-hydroxy-1-phenylethanone?
2-(2-bromo-5-methoxyphenyl)-2-hydroxy-1-phenylethanone has a molecular weight of 321.17 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-methoxyphenyl)-2-hydroxy-1-phenylethanone is sourced from PubChem (CID 150726546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).