1-(4-bromophenyl)-2-[4-(2-hydroxyethyl)phenoxy]ethanone

C16H15BrO3 — CID 107709231

IUPAC1-(4-bromophenyl)-2-[4-(2-hydroxyethyl)phenoxy]ethanone
SMILESO=C(COc1ccc(CCO)cc1)c1ccc(Br)cc1
InChIInChI=1S/C16H15BrO3/c17-14-5-3-13(4-6-14)16(19)11-20-15-7-1-12(2-8-15)9-10-18/h1-8,18H,9-11H2
InChIKeyZSMBZJPVYHREDB-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.25
Rot. Bonds6

About 1-(4-bromophenyl)-2-[4-(2-hydroxyethyl)phenoxy]ethanone

1-(4-bromophenyl)-2-[4-(2-hydroxyethyl)phenoxy]ethanone (PubChem CID 107709231) has the molecular formula C16H15BrO3 and a molecular weight of 335.20 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-[4-(2-hydroxyethyl)phenoxy]ethanone.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-[4-(2-hydroxyethyl)phenoxy]ethanone
PubChem CID107709231
Molecular FormulaC16H15BrO3
Molecular Weight335.20 g/mol
Exact Mass334.02
IUPAC Name1-(4-bromophenyl)-2-[4-(2-hydroxyethyl)phenoxy]ethanone
SMILESO=C(COc1ccc(CCO)cc1)c1ccc(Br)cc1
InChIInChI=1S/C16H15BrO3/c17-14-5-3-13(4-6-14)16(19)11-20-15-7-1-12(2-8-15)9-10-18/h1-8,18H,9-11H2
InChIKeyZSMBZJPVYHREDB-UHFFFAOYSA-N
XLogP3.25
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-bromophenyl)-2-[4-(2-hydroxyethyl)phenoxy]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(bromomethyl)phenoxy]-1-(4-bromophenyl)ethanone
CID 67899293
2-[4-[2-(4-bromophenyl)-2-oxoethoxy]phenyl]acetamide
CID 38113386
2-(4-bromophenoxy)-N-[4-(2-hydroxyethyl)phenyl]acetamide
CID 55989555
1-(3,4-difluorophenyl)-2-[4-(2-hydroxyethyl)phenoxy]ethanone
CID 107709229
1-(4-bromophenyl)-2-(4-phenylphenoxy)ethanone
CID 4309178
1-(4-bromophenyl)-2-(3,4-difluorophenoxy)ethanone
CID 43612513
1-(4-fluorophenyl)-2-[4-(hydroxymethyl)phenoxy]ethanone
CID 60623791
2-(4-bromo-3-fluorophenoxy)-1-(4-bromophenyl)ethanone
CID 65201551
2-(3-bromo-4-fluorophenoxy)-1-(4-bromophenyl)ethanone
CID 83234474
1-(4-fluorophenyl)-3-[4-(2-hydroxyethyl)phenoxy]propan-1-one
CID 107709274
1-(4-fluorophenyl)-2-[4-(2-methoxyethyl)phenoxy]ethanone
CID 43413939
2-(4-phenacyloxyphenoxy)-1-phenylethanone
CID 962120

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-[4-(2-hydroxyethyl)phenoxy]ethanone?
The IUPAC name of 1-(4-bromophenyl)-2-[4-(2-hydroxyethyl)phenoxy]ethanone (CID 107709231) is 1-(4-bromophenyl)-2-[4-(2-hydroxyethyl)phenoxy]ethanone.
What is the SMILES notation for 1-(4-bromophenyl)-2-[4-(2-hydroxyethyl)phenoxy]ethanone?
The canonical SMILES for 1-(4-bromophenyl)-2-[4-(2-hydroxyethyl)phenoxy]ethanone is O=C(COc1ccc(CCO)cc1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-[4-(2-hydroxyethyl)phenoxy]ethanone?
The InChIKey is ZSMBZJPVYHREDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO3/c17-14-5-3-13(4-6-14)16(19)11-20-15-7-1-12(2-8-15)9-10-18/h1-8,18H,9-11H2.
What are the key properties of 1-(4-bromophenyl)-2-[4-(2-hydroxyethyl)phenoxy]ethanone?
1-(4-bromophenyl)-2-[4-(2-hydroxyethyl)phenoxy]ethanone has a molecular weight of 335.20 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-[4-(2-hydroxyethyl)phenoxy]ethanone is sourced from PubChem (CID 107709231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).