1-(5-bromo-2-methoxyphenyl)-3-(3,4-dimethylphenyl)propan-2-one

C18H19BrO2 — CID 63410576

IUPAC1-(5-bromo-2-methoxyphenyl)-3-(3,4-dimethylphenyl)propan-2-one
SMILESCOc1ccc(Br)cc1CC(=O)Cc1ccc(C)c(C)c1
InChIInChI=1S/C18H19BrO2/c1-12-4-5-14(8-13(12)2)9-17(20)11-15-10-16(19)6-7-18(15)21-3/h4-8,10H,9,11H2,1-3H3
InChIKeyVKLOVBNMGJVWJI-UHFFFAOYSA-N
MW347.25 g/mol
LogP4.43
Rot. Bonds5

About 1-(5-bromo-2-methoxyphenyl)-3-(3,4-dimethylphenyl)propan-2-one

1-(5-bromo-2-methoxyphenyl)-3-(3,4-dimethylphenyl)propan-2-one (PubChem CID 63410576) has the molecular formula C18H19BrO2 and a molecular weight of 347.25 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxyphenyl)-3-(3,4-dimethylphenyl)propan-2-one.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyphenyl)-3-(3,4-dimethylphenyl)propan-2-one
PubChem CID63410576
Molecular FormulaC18H19BrO2
Molecular Weight347.25 g/mol
Exact Mass346.06
IUPAC Name1-(5-bromo-2-methoxyphenyl)-3-(3,4-dimethylphenyl)propan-2-one
SMILESCOc1ccc(Br)cc1CC(=O)Cc1ccc(C)c(C)c1
InChIInChI=1S/C18H19BrO2/c1-12-4-5-14(8-13(12)2)9-17(20)11-15-10-16(19)6-7-18(15)21-3/h4-8,10H,9,11H2,1-3H3
InChIKeyVKLOVBNMGJVWJI-UHFFFAOYSA-N
XLogP4.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.25
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-3-(3,4-dimethoxyphenyl)propan-2-one
CID 60864985
1-(3-bromophenyl)-3-(3,4-dimethylphenyl)propan-2-one
CID 55186208
1-chloro-3-(4-methoxy-3-methylphenyl)propan-2-one
CID 134627536
4-(4-aminophenyl)-1-(5-bromo-2-methoxyphenyl)butan-2-one
CID 116605589
1-(5-bromo-2-methoxyphenyl)-4,4,4-trifluorobutan-2-one
CID 54971223
1-(5-bromo-2-methoxyphenyl)-4-(dimethylamino)butan-2-one
CID 115345736
1-(2,5-dimethylphenyl)-3-(2-methoxy-5-methylphenyl)propan-2-one
CID 114965749
1-(5-bromo-2-methoxyphenyl)decan-2-one
CID 114964534
1-(5-bromofuran-2-yl)-2-(5-bromo-2-methoxyphenyl)ethanone
CID 114964535
2-(5-bromo-2-methoxyphenyl)-1-(4-bromo-3-methylphenyl)ethanone
CID 114964515
2-(5-bromo-2-methoxyphenyl)-1-(2,4-dimethylphenyl)ethanone
CID 114964594
1-(3,4-difluorophenyl)-3-(2-methoxy-5-methylphenyl)propan-2-one
CID 114965782

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxyphenyl)-3-(3,4-dimethylphenyl)propan-2-one?
The IUPAC name of 1-(5-bromo-2-methoxyphenyl)-3-(3,4-dimethylphenyl)propan-2-one (CID 63410576) is 1-(5-bromo-2-methoxyphenyl)-3-(3,4-dimethylphenyl)propan-2-one.
What is the SMILES notation for 1-(5-bromo-2-methoxyphenyl)-3-(3,4-dimethylphenyl)propan-2-one?
The canonical SMILES for 1-(5-bromo-2-methoxyphenyl)-3-(3,4-dimethylphenyl)propan-2-one is COc1ccc(Br)cc1CC(=O)Cc1ccc(C)c(C)c1.
What is the InChIKey of 1-(5-bromo-2-methoxyphenyl)-3-(3,4-dimethylphenyl)propan-2-one?
The InChIKey is VKLOVBNMGJVWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrO2/c1-12-4-5-14(8-13(12)2)9-17(20)11-15-10-16(19)6-7-18(15)21-3/h4-8,10H,9,11H2,1-3H3.
What are the key properties of 1-(5-bromo-2-methoxyphenyl)-3-(3,4-dimethylphenyl)propan-2-one?
1-(5-bromo-2-methoxyphenyl)-3-(3,4-dimethylphenyl)propan-2-one has a molecular weight of 347.25 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxyphenyl)-3-(3,4-dimethylphenyl)propan-2-one is sourced from PubChem (CID 63410576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).