(4-bromo-2-methoxyphenyl)-(4-methoxy-2,5-dimethylphenyl)methanone

C17H17BrO3 — CID 115797925

IUPAC(4-bromo-2-methoxyphenyl)-(4-methoxy-2,5-dimethylphenyl)methanone
SMILESCOc1cc(C)c(C(=O)c2ccc(Br)cc2OC)cc1C
InChIInChI=1S/C17H17BrO3/c1-10-8-15(20-3)11(2)7-14(10)17(19)13-6-5-12(18)9-16(13)21-4/h5-9H,1-4H3
InChIKeyOTJRDOVIYVKYDN-UHFFFAOYSA-N
MW349.22 g/mol
LogP4.31
Rot. Bonds4

About (4-bromo-2-methoxyphenyl)-(4-methoxy-2,5-dimethylphenyl)methanone

(4-bromo-2-methoxyphenyl)-(4-methoxy-2,5-dimethylphenyl)methanone (PubChem CID 115797925) has the molecular formula C17H17BrO3 and a molecular weight of 349.22 g/mol. Its IUPAC name is (4-bromo-2-methoxyphenyl)-(4-methoxy-2,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name(4-bromo-2-methoxyphenyl)-(4-methoxy-2,5-dimethylphenyl)methanone
PubChem CID115797925
Molecular FormulaC17H17BrO3
Molecular Weight349.22 g/mol
Exact Mass348.04
IUPAC Name(4-bromo-2-methoxyphenyl)-(4-methoxy-2,5-dimethylphenyl)methanone
SMILESCOc1cc(C)c(C(=O)c2ccc(Br)cc2OC)cc1C
InChIInChI=1S/C17H17BrO3/c1-10-8-15(20-3)11(2)7-14(10)17(19)13-6-5-12(18)9-16(13)21-4/h5-9H,1-4H3
InChIKeyOTJRDOVIYVKYDN-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

(4-bromo-2-methoxyphenyl)-(4-chloro-2,5-dimethylphenyl)methanone
CID 115368800
(5-bromo-2-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanone
CID 114894253
(4-bromo-2-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanone
CID 115368721
(5-bromo-2-chlorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanone
CID 43626582
(2,6-dimethyl-3-pyridinyl)-(4-methoxy-2,5-dimethylphenyl)methanone
CID 105127258
(4-bromo-2-methoxyphenyl)-(2,5-dichlorophenyl)methanone
CID 115368770
(5-bromofuran-2-yl)-(4-methoxy-2,5-dimethylphenyl)methanone
CID 82095027
ethane;4-methoxy-2,5-dimethylbenzoic acid
CID 145075043
(5-bromo-2-fluorophenyl)-(2-methoxy-4-methylphenyl)methanone
CID 106790410
(4-bromo-3-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanone
CID 115797912
(4-bromo-2-methylphenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43629665
(4-bromo-3-chloro-2-fluorophenyl)-(4-bromo-2-methoxyphenyl)methanone
CID 106764162

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-methoxyphenyl)-(4-methoxy-2,5-dimethylphenyl)methanone?
The IUPAC name of (4-bromo-2-methoxyphenyl)-(4-methoxy-2,5-dimethylphenyl)methanone (CID 115797925) is (4-bromo-2-methoxyphenyl)-(4-methoxy-2,5-dimethylphenyl)methanone.
What is the SMILES notation for (4-bromo-2-methoxyphenyl)-(4-methoxy-2,5-dimethylphenyl)methanone?
The canonical SMILES for (4-bromo-2-methoxyphenyl)-(4-methoxy-2,5-dimethylphenyl)methanone is COc1cc(C)c(C(=O)c2ccc(Br)cc2OC)cc1C.
What is the InChIKey of (4-bromo-2-methoxyphenyl)-(4-methoxy-2,5-dimethylphenyl)methanone?
The InChIKey is OTJRDOVIYVKYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrO3/c1-10-8-15(20-3)11(2)7-14(10)17(19)13-6-5-12(18)9-16(13)21-4/h5-9H,1-4H3.
What are the key properties of (4-bromo-2-methoxyphenyl)-(4-methoxy-2,5-dimethylphenyl)methanone?
(4-bromo-2-methoxyphenyl)-(4-methoxy-2,5-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 (4-bromo-2-methoxyphenyl)-(4-methoxy-2,5-dimethylphenyl)methanone is sourced from PubChem (CID 115797925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).