2-(4-bromophenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)ethanone

C16H15BrO4 — CID 1268029

IUPAC2-(4-bromophenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)ethanone
SMILESCOc1cc(O)c(C(=O)Cc2ccc(Br)cc2)c(OC)c1
InChIInChI=1S/C16H15BrO4/c1-20-12-8-14(19)16(15(9-12)21-2)13(18)7-10-3-5-11(17)6-4-10/h3-6,8-9,19H,7H2,1-2H3
InChIKeyUYYVLBUXWSTNAG-UHFFFAOYSA-N
MW351.20 g/mol
LogP3.60
Rot. Bonds5

About 2-(4-bromophenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)ethanone

2-(4-bromophenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)ethanone (PubChem CID 1268029) has the molecular formula C16H15BrO4 and a molecular weight of 351.20 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)ethanone
PubChem CID1268029
Molecular FormulaC16H15BrO4
Molecular Weight351.20 g/mol
Exact Mass350.02
IUPAC Name2-(4-bromophenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)ethanone
SMILESCOc1cc(O)c(C(=O)Cc2ccc(Br)cc2)c(OC)c1
InChIInChI=1S/C16H15BrO4/c1-20-12-8-14(19)16(15(9-12)21-2)13(18)7-10-3-5-11(17)6-4-10/h3-6,8-9,19H,7H2,1-2H3
InChIKeyUYYVLBUXWSTNAG-UHFFFAOYSA-N
XLogP3.60
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-1-(2-hydroxy-4,6-dimethoxyphenyl)propan-1-one
CID 10955251
2-(4-bromophenyl)-1-[2-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 91871425
1-(4-bromo-2-methoxyphenyl)-2-(4-methoxyphenyl)ethanone
CID 115369376
1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-hydroxyphenyl)propane-1,3-dione
CID 90718650
1-(2-hydroxy-4,6-dimethoxyphenyl)-2-phenylmethoxyethanone
CID 102233436
[4-[2-oxo-2-(2,4,6-trimethoxyphenyl)ethyl]phenyl] phenyl hydrogen phosphate
CID 21410784
2-(4-bromophenyl)-1-(4,5-dimethoxy-2-methylphenyl)ethanone
CID 43626572
1-(4-bromo-2,5-dimethoxyphenyl)-2-(4-bromophenyl)ethanone
CID 105056472
3-(4-methoxyphenyl)-1-(2,4,6-trimethoxyphenyl)propane-1,2-dione
CID 606893
2-(4-bromophenyl)-1-(3-methoxy-4-methylphenyl)ethanone
CID 61055896
1-(2-hydroxy-4,6-dimethoxyphenyl)-2,2-dimethoxy-3-(4-methoxyphenyl)propan-1-one
CID 606999
2-(4-bromophenyl)-1-(3-chloro-4-methoxyphenyl)ethanone
CID 43161702

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)ethanone?
The IUPAC name of 2-(4-bromophenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)ethanone (CID 1268029) is 2-(4-bromophenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)ethanone.
What is the SMILES notation for 2-(4-bromophenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)ethanone?
The canonical SMILES for 2-(4-bromophenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)ethanone is COc1cc(O)c(C(=O)Cc2ccc(Br)cc2)c(OC)c1.
What is the InChIKey of 2-(4-bromophenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)ethanone?
The InChIKey is UYYVLBUXWSTNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO4/c1-20-12-8-14(19)16(15(9-12)21-2)13(18)7-10-3-5-11(17)6-4-10/h3-6,8-9,19H,7H2,1-2H3.
What are the key properties of 2-(4-bromophenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)ethanone?
2-(4-bromophenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)ethanone has a molecular weight of 351.20 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)ethanone is sourced from PubChem (CID 1268029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).