1-(3-bromo-4-hydroxyphenyl)-2-(3-hydroxyphenyl)ethanone

C14H11BrO3 — CID 68991930

IUPAC1-(3-bromo-4-hydroxyphenyl)-2-(3-hydroxyphenyl)ethanone
SMILESO=C(Cc1cccc(O)c1)c1ccc(O)c(Br)c1
InChIInChI=1S/C14H11BrO3/c15-12-8-10(4-5-13(12)17)14(18)7-9-2-1-3-11(16)6-9/h1-6,8,16-17H,7H2
InChIKeyIGCXPGLQLOUWJC-UHFFFAOYSA-N
MW307.14 g/mol
LogP3.29
Rot. Bonds3

About 1-(3-bromo-4-hydroxyphenyl)-2-(3-hydroxyphenyl)ethanone

1-(3-bromo-4-hydroxyphenyl)-2-(3-hydroxyphenyl)ethanone (PubChem CID 68991930) has the molecular formula C14H11BrO3 and a molecular weight of 307.14 g/mol. Its IUPAC name is 1-(3-bromo-4-hydroxyphenyl)-2-(3-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name1-(3-bromo-4-hydroxyphenyl)-2-(3-hydroxyphenyl)ethanone
PubChem CID68991930
Molecular FormulaC14H11BrO3
Molecular Weight307.14 g/mol
Exact Mass305.99
IUPAC Name1-(3-bromo-4-hydroxyphenyl)-2-(3-hydroxyphenyl)ethanone
SMILESO=C(Cc1cccc(O)c1)c1ccc(O)c(Br)c1
InChIInChI=1S/C14H11BrO3/c15-12-8-10(4-5-13(12)17)14(18)7-9-2-1-3-11(16)6-9/h1-6,8,16-17H,7H2
InChIKeyIGCXPGLQLOUWJC-UHFFFAOYSA-N
XLogP3.29
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.14
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1H-indol-5-yl)-2-(3-hydroxyphenyl)ethanone
CID 116554091
1-(2-amino-5-bromophenyl)-2-(3-hydroxyphenyl)ethanone
CID 82704146
1-(3-bromo-4-methoxyphenyl)-2-phenylethanone
CID 43339868
1-(4-bromo-3-chlorophenyl)-2-phenylethanone
CID 81296102
2-(3-bromophenyl)-1-(3-bromo-4-propoxyphenyl)ethanone
CID 104657086
2-(3-bromo-4-hydroxyphenyl)acetamide
CID 57224771
4-(chloromethyl)-N'-[2-(3-hydroxyphenyl)acetyl]benzohydrazide
CID 59422014
N-(3,4-dihydroxyphenyl)-2-(3-hydroxyphenyl)acetamide
CID 67560299
2-(3-bromophenyl)-1-(4-ethylphenyl)ethanone
CID 60797716
1-(3-bromophenyl)-2-(3-fluorophenyl)ethanone
CID 24723944
3-bromo-2-[[2-(3-hydroxyphenyl)acetyl]amino]benzoic acid
CID 63112768
2-bromo-4-methylphenol;1-(3-hydroxyphenyl)ethanone
CID 67836332

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-hydroxyphenyl)-2-(3-hydroxyphenyl)ethanone?
The IUPAC name of 1-(3-bromo-4-hydroxyphenyl)-2-(3-hydroxyphenyl)ethanone (CID 68991930) is 1-(3-bromo-4-hydroxyphenyl)-2-(3-hydroxyphenyl)ethanone.
What is the SMILES notation for 1-(3-bromo-4-hydroxyphenyl)-2-(3-hydroxyphenyl)ethanone?
The canonical SMILES for 1-(3-bromo-4-hydroxyphenyl)-2-(3-hydroxyphenyl)ethanone is O=C(Cc1cccc(O)c1)c1ccc(O)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-hydroxyphenyl)-2-(3-hydroxyphenyl)ethanone?
The InChIKey is IGCXPGLQLOUWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrO3/c15-12-8-10(4-5-13(12)17)14(18)7-9-2-1-3-11(16)6-9/h1-6,8,16-17H,7H2.
What are the key properties of 1-(3-bromo-4-hydroxyphenyl)-2-(3-hydroxyphenyl)ethanone?
1-(3-bromo-4-hydroxyphenyl)-2-(3-hydroxyphenyl)ethanone has a molecular weight of 307.14 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-hydroxyphenyl)-2-(3-hydroxyphenyl)ethanone is sourced from PubChem (CID 68991930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).