1-(5-bromo-2-phenylmethoxyphenyl)-2-(3-ethylphenyl)ethanone

C23H21BrO2 — CID 161238238

IUPAC1-(5-bromo-2-phenylmethoxyphenyl)-2-(3-ethylphenyl)ethanone
SMILESCCc1cccc(CC(=O)c2cc(Br)ccc2OCc2ccccc2)c1
InChIInChI=1S/C23H21BrO2/c1-2-17-9-6-10-19(13-17)14-22(25)21-15-20(24)11-12-23(21)26-16-18-7-4-3-5-8-18/h3-13,15H,2,14,16H2,1H3
InChIKeyUZQQSNJVDQXESR-UHFFFAOYSA-N
MW409.32 g/mol
LogP6.02
Rot. Bonds7

About 1-(5-bromo-2-phenylmethoxyphenyl)-2-(3-ethylphenyl)ethanone

1-(5-bromo-2-phenylmethoxyphenyl)-2-(3-ethylphenyl)ethanone (PubChem CID 161238238) has the molecular formula C23H21BrO2 and a molecular weight of 409.32 g/mol. Its IUPAC name is 1-(5-bromo-2-phenylmethoxyphenyl)-2-(3-ethylphenyl)ethanone.

Molecular Properties

Compound Name1-(5-bromo-2-phenylmethoxyphenyl)-2-(3-ethylphenyl)ethanone
PubChem CID161238238
Molecular FormulaC23H21BrO2
Molecular Weight409.32 g/mol
Exact Mass408.07
IUPAC Name1-(5-bromo-2-phenylmethoxyphenyl)-2-(3-ethylphenyl)ethanone
SMILESCCc1cccc(CC(=O)c2cc(Br)ccc2OCc2ccccc2)c1
InChIInChI=1S/C23H21BrO2/c1-2-17-9-6-10-19(13-17)14-22(25)21-15-20(24)11-12-23(21)26-16-18-7-4-3-5-8-18/h3-13,15H,2,14,16H2,1H3
InChIKeyUZQQSNJVDQXESR-UHFFFAOYSA-N
XLogP6.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.32
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-phenylmethoxyphenyl)-2-(3-fluorophenyl)ethanone
CID 157394263
1-(5-bromo-2-phenylmethoxyphenyl)-2-pyridin-2-ylethanone
CID 158421161
4-bromo-2-ethyl-1-phenylmethoxybenzene;ethane
CID 144758228
5-bromo-2-ethoxy-N'-(2-phenylacetyl)benzohydrazide
CID 17353032
2-(3-bromophenyl)-1-(2-propoxyphenyl)ethanone
CID 104659158
5-bromo-2-[(3-bromophenyl)methoxy]benzamide
CID 91683518
4-[(4-bromo-2-ethylphenoxy)methyl]benzoic acid
CID 20984290
1-(5-ethyl-4-methoxy-2-phenylmethoxyphenyl)-2-(4-methoxyphenyl)ethanone
CID 58914630
1-(4-ethyl-2-phenylmethoxyphenyl)ethanone
CID 122531292
(5-bromo-2-phenylmethoxyphenyl)methylcarbamic acid
CID 68634173
methyl 7-bromo-3-phenylmethoxynaphthalene-2-carboxylate
CID 166501120
5-bromo-N-[(5-bromo-2-ethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 4080043

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-phenylmethoxyphenyl)-2-(3-ethylphenyl)ethanone?
The IUPAC name of 1-(5-bromo-2-phenylmethoxyphenyl)-2-(3-ethylphenyl)ethanone (CID 161238238) is 1-(5-bromo-2-phenylmethoxyphenyl)-2-(3-ethylphenyl)ethanone.
What is the SMILES notation for 1-(5-bromo-2-phenylmethoxyphenyl)-2-(3-ethylphenyl)ethanone?
The canonical SMILES for 1-(5-bromo-2-phenylmethoxyphenyl)-2-(3-ethylphenyl)ethanone is CCc1cccc(CC(=O)c2cc(Br)ccc2OCc2ccccc2)c1.
What is the InChIKey of 1-(5-bromo-2-phenylmethoxyphenyl)-2-(3-ethylphenyl)ethanone?
The InChIKey is UZQQSNJVDQXESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrO2/c1-2-17-9-6-10-19(13-17)14-22(25)21-15-20(24)11-12-23(21)26-16-18-7-4-3-5-8-18/h3-13,15H,2,14,16H2,1H3.
What are the key properties of 1-(5-bromo-2-phenylmethoxyphenyl)-2-(3-ethylphenyl)ethanone?
1-(5-bromo-2-phenylmethoxyphenyl)-2-(3-ethylphenyl)ethanone has a molecular weight of 409.32 g/mol, XLogP of 6.02, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-phenylmethoxyphenyl)-2-(3-ethylphenyl)ethanone is sourced from PubChem (CID 161238238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).