2-bromo-2-[(4-methoxyphenyl)methoxy]-1-[3-[(4-methoxyphenyl)methoxy]phenyl]ethanone

C24H23BrO5 — CID 57070941

IUPAC2-bromo-2-[(4-methoxyphenyl)methoxy]-1-[3-[(4-methoxyphenyl)methoxy]phenyl]ethanone
SMILESCOc1ccc(COc2cccc(C(=O)C(Br)OCc3ccc(OC)cc3)c2)cc1
InChIInChI=1S/C24H23BrO5/c1-27-20-10-6-17(7-11-20)15-29-22-5-3-4-19(14-22)23(26)24(25)30-16-18-8-12-21(28-2)13-9-18/h3-14,24H,15-16H2,1-2H3
InChIKeyOWWNQNNJIHNFOR-UHFFFAOYSA-N
MW471.35 g/mol
LogP5.40
Rot. Bonds10

About 2-bromo-2-[(4-methoxyphenyl)methoxy]-1-[3-[(4-methoxyphenyl)methoxy]phenyl]ethanone

2-bromo-2-[(4-methoxyphenyl)methoxy]-1-[3-[(4-methoxyphenyl)methoxy]phenyl]ethanone (PubChem CID 57070941) has the molecular formula C24H23BrO5 and a molecular weight of 471.35 g/mol. Its IUPAC name is 2-bromo-2-[(4-methoxyphenyl)methoxy]-1-[3-[(4-methoxyphenyl)methoxy]phenyl]ethanone.

Molecular Properties

Compound Name2-bromo-2-[(4-methoxyphenyl)methoxy]-1-[3-[(4-methoxyphenyl)methoxy]phenyl]ethanone
PubChem CID57070941
Molecular FormulaC24H23BrO5
Molecular Weight471.35 g/mol
Exact Mass470.07
IUPAC Name2-bromo-2-[(4-methoxyphenyl)methoxy]-1-[3-[(4-methoxyphenyl)methoxy]phenyl]ethanone
SMILESCOc1ccc(COc2cccc(C(=O)C(Br)OCc3ccc(OC)cc3)c2)cc1
InChIInChI=1S/C24H23BrO5/c1-27-20-10-6-17(7-11-20)15-29-22-5-3-4-19(14-22)23(26)24(25)30-16-18-8-12-21(28-2)13-9-18/h3-14,24H,15-16H2,1-2H3
InChIKeyOWWNQNNJIHNFOR-UHFFFAOYSA-N
XLogP5.40
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.35
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-[3-[(4-methoxyphenyl)methoxy]phenyl]-4-oxobut-2-enoic acid
CID 54212138
1-[3-[(4-methoxyphenyl)methoxy]phenyl]-2-(4-methylphenyl)ethanone;sulfur monoxide
CID 159572663
N-hydroxy-4-[[3-[(4-methoxybenzoyl)amino]phenoxy]methyl]benzamide
CID 153407823
3-[[4-[[3-(dimethylcarbamoyl)phenoxy]methyl]phenyl]methoxy]-N,N-dimethylbenzamide
CID 167758770
N-[(1S)-1-(4-methoxyphenyl)propyl]-3-phenylmethoxybenzamide
CID 38005412
3-methoxy-N-(3-phenylmethoxyphenyl)benzamide
CID 135564193
N'-[4-[(4-ethoxyphenoxy)methyl]benzoyl]-3-methoxybenzohydrazide
CID 7941736
3-[(4-methoxyphenyl)methoxy]benzaldehyde
CID 14972990
1-[3-[(4-methoxyphenyl)methoxy]phenyl]ethanamine
CID 60879205
3-[(4-fluorophenyl)methoxy]benzamide
CID 18354605
1-fluoro-4-[(3-methoxyphenoxy)methyl]benzene
CID 59165653
3-[(3-bromo-4-methoxyphenyl)methoxy]benzoic acid
CID 45286749

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-[(4-methoxyphenyl)methoxy]-1-[3-[(4-methoxyphenyl)methoxy]phenyl]ethanone?
The IUPAC name of 2-bromo-2-[(4-methoxyphenyl)methoxy]-1-[3-[(4-methoxyphenyl)methoxy]phenyl]ethanone (CID 57070941) is 2-bromo-2-[(4-methoxyphenyl)methoxy]-1-[3-[(4-methoxyphenyl)methoxy]phenyl]ethanone.
What is the SMILES notation for 2-bromo-2-[(4-methoxyphenyl)methoxy]-1-[3-[(4-methoxyphenyl)methoxy]phenyl]ethanone?
The canonical SMILES for 2-bromo-2-[(4-methoxyphenyl)methoxy]-1-[3-[(4-methoxyphenyl)methoxy]phenyl]ethanone is COc1ccc(COc2cccc(C(=O)C(Br)OCc3ccc(OC)cc3)c2)cc1.
What is the InChIKey of 2-bromo-2-[(4-methoxyphenyl)methoxy]-1-[3-[(4-methoxyphenyl)methoxy]phenyl]ethanone?
The InChIKey is OWWNQNNJIHNFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrO5/c1-27-20-10-6-17(7-11-20)15-29-22-5-3-4-19(14-22)23(26)24(25)30-16-18-8-12-21(28-2)13-9-18/h3-14,24H,15-16H2,1-2H3.
What are the key properties of 2-bromo-2-[(4-methoxyphenyl)methoxy]-1-[3-[(4-methoxyphenyl)methoxy]phenyl]ethanone?
2-bromo-2-[(4-methoxyphenyl)methoxy]-1-[3-[(4-methoxyphenyl)methoxy]phenyl]ethanone has a molecular weight of 471.35 g/mol, XLogP of 5.40, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-[(4-methoxyphenyl)methoxy]-1-[3-[(4-methoxyphenyl)methoxy]phenyl]ethanone is sourced from PubChem (CID 57070941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).