(2-bromo-4,5-dimethoxyphenyl)-(3,4-dimethylphenyl)methanone

C17H17BrO3 — CID 43161110

IUPAC(2-bromo-4,5-dimethoxyphenyl)-(3,4-dimethylphenyl)methanone
SMILESCOc1cc(Br)c(C(=O)c2ccc(C)c(C)c2)cc1OC
InChIInChI=1S/C17H17BrO3/c1-10-5-6-12(7-11(10)2)17(19)13-8-15(20-3)16(21-4)9-14(13)18/h5-9H,1-4H3
InChIKeyHZIVIGHRBYKRRD-UHFFFAOYSA-N
MW349.22 g/mol
LogP4.31
Rot. Bonds4

About (2-bromo-4,5-dimethoxyphenyl)-(3,4-dimethylphenyl)methanone

(2-bromo-4,5-dimethoxyphenyl)-(3,4-dimethylphenyl)methanone (PubChem CID 43161110) has the molecular formula C17H17BrO3 and a molecular weight of 349.22 g/mol. Its IUPAC name is (2-bromo-4,5-dimethoxyphenyl)-(3,4-dimethylphenyl)methanone.

Molecular Properties

Compound Name(2-bromo-4,5-dimethoxyphenyl)-(3,4-dimethylphenyl)methanone
PubChem CID43161110
Molecular FormulaC17H17BrO3
Molecular Weight349.22 g/mol
Exact Mass348.04
IUPAC Name(2-bromo-4,5-dimethoxyphenyl)-(3,4-dimethylphenyl)methanone
SMILESCOc1cc(Br)c(C(=O)c2ccc(C)c(C)c2)cc1OC
InChIInChI=1S/C17H17BrO3/c1-10-5-6-12(7-11(10)2)17(19)13-8-15(20-3)16(21-4)9-14(13)18/h5-9H,1-4H3
InChIKeyHZIVIGHRBYKRRD-UHFFFAOYSA-N
XLogP4.31
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-2-methoxy-4-methylphenyl)-(3,4-dimethylphenyl)methanone
CID 65439137
(2-bromo-4,5-dimethoxyphenyl)-(3-methylphenyl)methanone
CID 43161114
(2-bromo-4,5-dimethoxyphenyl)-(4-fluorophenyl)methanone
CID 43161123
(4-bromo-2,5-dimethoxyphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 105056482
(4-bromo-2,5-dimethoxyphenyl)-(4-chloro-3-methylphenyl)methanone
CID 105056463
(3,4-dimethylphenyl)-(2-methoxyphenyl)methanone
CID 24722768
(2-bromophenyl)-(4-methoxy-3-methylphenyl)methanone
CID 43379600
(4,5-dimethoxy-2-methylphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 63209380
(2-bromo-4,5-dimethoxyphenyl)-(3-methylfuran-2-yl)methanone
CID 43463104
(2,5-dibromophenyl)-(3,4-dimethoxyphenyl)methanone
CID 114368506
(4-bromo-3-methylphenyl)-(2,4-dimethoxyphenyl)methanone
CID 114971196
(3-bromo-4-methoxyphenyl)-(2,3-difluoro-4-methylphenyl)methanone
CID 107512834

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4,5-dimethoxyphenyl)-(3,4-dimethylphenyl)methanone?
The IUPAC name of (2-bromo-4,5-dimethoxyphenyl)-(3,4-dimethylphenyl)methanone (CID 43161110) is (2-bromo-4,5-dimethoxyphenyl)-(3,4-dimethylphenyl)methanone.
What is the SMILES notation for (2-bromo-4,5-dimethoxyphenyl)-(3,4-dimethylphenyl)methanone?
The canonical SMILES for (2-bromo-4,5-dimethoxyphenyl)-(3,4-dimethylphenyl)methanone is COc1cc(Br)c(C(=O)c2ccc(C)c(C)c2)cc1OC.
What is the InChIKey of (2-bromo-4,5-dimethoxyphenyl)-(3,4-dimethylphenyl)methanone?
The InChIKey is HZIVIGHRBYKRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrO3/c1-10-5-6-12(7-11(10)2)17(19)13-8-15(20-3)16(21-4)9-14(13)18/h5-9H,1-4H3.
What are the key properties of (2-bromo-4,5-dimethoxyphenyl)-(3,4-dimethylphenyl)methanone?
(2-bromo-4,5-dimethoxyphenyl)-(3,4-dimethylphenyl)methanone has a molecular weight of 349.22 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4,5-dimethoxyphenyl)-(3,4-dimethylphenyl)methanone is sourced from PubChem (CID 43161110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).