1-(2-bromo-4-methoxyphenyl)ethanone;1-(2-bromo-4-phenylphenyl)ethanone

C23H20Br2O3 — CID 70275745

IUPAC1-(2-bromo-4-methoxyphenyl)ethanone;1-(2-bromo-4-phenylphenyl)ethanone
SMILESCC(=O)c1ccc(-c2ccccc2)cc1Br.COc1ccc(C(C)=O)c(Br)c1
InChIInChI=1S/C14H11BrO.C9H9BrO2/c1-10(16)13-8-7-12(9-14(13)15)11-5-3-2-4-6-11;1-6(11)8-4-3-7(12-2)5-9(8)10/h2-9H,1H3;3-5H,1-2H3
InChIKeyBHAMXJUPGZMEEC-UHFFFAOYSA-N
MW504.22 g/mol
LogP6.98
Rot. Bonds4

About 1-(2-bromo-4-methoxyphenyl)ethanone;1-(2-bromo-4-phenylphenyl)ethanone

1-(2-bromo-4-methoxyphenyl)ethanone;1-(2-bromo-4-phenylphenyl)ethanone (PubChem CID 70275745) has the molecular formula C23H20Br2O3 and a molecular weight of 504.22 g/mol. Its IUPAC name is 1-(2-bromo-4-methoxyphenyl)ethanone;1-(2-bromo-4-phenylphenyl)ethanone.

Molecular Properties

Compound Name1-(2-bromo-4-methoxyphenyl)ethanone;1-(2-bromo-4-phenylphenyl)ethanone
PubChem CID70275745
Molecular FormulaC23H20Br2O3
Molecular Weight504.22 g/mol
Exact Mass501.98
IUPAC Name1-(2-bromo-4-methoxyphenyl)ethanone;1-(2-bromo-4-phenylphenyl)ethanone
SMILESCC(=O)c1ccc(-c2ccccc2)cc1Br.COc1ccc(C(C)=O)c(Br)c1
InChIInChI=1S/C14H11BrO.C9H9BrO2/c1-10(16)13-8-7-12(9-14(13)15)11-5-3-2-4-6-11;1-6(11)8-4-3-7(12-2)5-9(8)10/h2-9H,1H3;3-5H,1-2H3
InChIKeyBHAMXJUPGZMEEC-UHFFFAOYSA-N
XLogP6.98
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.22
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-4-phenylmethoxyphenyl)ethanone
CID 70433955
(2-hydroxy-4-methoxyphenyl)-(4-phenylphenyl)methanone
CID 13466519
5-methoxy-2-(4-phenylbenzoyl)benzoic acid
CID 69209013
2-methoxy-6-phenylnaphthalene
CID 11253308
2-[3-[(4-acetyl-3-bromophenoxy)methyl]phenyl]acetic acid
CID 91863540
3-bromo-2-methoxy-5-phenylbenzoic acid
CID 50882923
1-(2-bromo-4-methoxyphenyl)-2-phenylbutan-1-one
CID 60787106
1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene
CID 176774050
2-bromo-4-(4-methoxyphenyl)phenol
CID 11492848
2-methoxynaphthalene;2-phenylnaphthalene
CID 173269029
5-methoxy-2-phenylphenol;propan-2-one
CID 175099013
1-[4-(6-methoxynaphthalen-2-yl)phenyl]ethanone;1-(4-methoxyphenyl)ethanone
CID 91415101

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-methoxyphenyl)ethanone;1-(2-bromo-4-phenylphenyl)ethanone?
The IUPAC name of 1-(2-bromo-4-methoxyphenyl)ethanone;1-(2-bromo-4-phenylphenyl)ethanone (CID 70275745) is 1-(2-bromo-4-methoxyphenyl)ethanone;1-(2-bromo-4-phenylphenyl)ethanone.
What is the SMILES notation for 1-(2-bromo-4-methoxyphenyl)ethanone;1-(2-bromo-4-phenylphenyl)ethanone?
The canonical SMILES for 1-(2-bromo-4-methoxyphenyl)ethanone;1-(2-bromo-4-phenylphenyl)ethanone is CC(=O)c1ccc(-c2ccccc2)cc1Br.COc1ccc(C(C)=O)c(Br)c1.
What is the InChIKey of 1-(2-bromo-4-methoxyphenyl)ethanone;1-(2-bromo-4-phenylphenyl)ethanone?
The InChIKey is BHAMXJUPGZMEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrO.C9H9BrO2/c1-10(16)13-8-7-12(9-14(13)15)11-5-3-2-4-6-11;1-6(11)8-4-3-7(12-2)5-9(8)10/h2-9H,1H3;3-5H,1-2H3.
What are the key properties of 1-(2-bromo-4-methoxyphenyl)ethanone;1-(2-bromo-4-phenylphenyl)ethanone?
1-(2-bromo-4-methoxyphenyl)ethanone;1-(2-bromo-4-phenylphenyl)ethanone has a molecular weight of 504.22 g/mol, XLogP of 6.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-methoxyphenyl)ethanone;1-(2-bromo-4-phenylphenyl)ethanone is sourced from PubChem (CID 70275745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).