(3-bromophenyl)-(4-methoxy-3,5-dimethylphenyl)methanone

C16H15BrO2 — CID 2756950

IUPAC(3-bromophenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
SMILESCOc1c(C)cc(C(=O)c2cccc(Br)c2)cc1C
InChIInChI=1S/C16H15BrO2/c1-10-7-13(8-11(2)16(10)19-3)15(18)12-5-4-6-14(17)9-12/h4-9H,1-3H3
InChIKeyKWFIRZWGVDVOOF-UHFFFAOYSA-N
MW319.20 g/mol
LogP4.31
Rot. Bonds3

About (3-bromophenyl)-(4-methoxy-3,5-dimethylphenyl)methanone

(3-bromophenyl)-(4-methoxy-3,5-dimethylphenyl)methanone (PubChem CID 2756950) has the molecular formula C16H15BrO2 and a molecular weight of 319.20 g/mol. Its IUPAC name is (3-bromophenyl)-(4-methoxy-3,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name(3-bromophenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
PubChem CID2756950
Molecular FormulaC16H15BrO2
Molecular Weight319.20 g/mol
Exact Mass318.03
IUPAC Name(3-bromophenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
SMILESCOc1c(C)cc(C(=O)c2cccc(Br)c2)cc1C
InChIInChI=1S/C16H15BrO2/c1-10-7-13(8-11(2)16(10)19-3)15(18)12-5-4-6-14(17)9-12/h4-9H,1-3H3
InChIKeyKWFIRZWGVDVOOF-UHFFFAOYSA-N
XLogP4.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromophenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 2756951
(3-amino-5-bromophenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 83068594
(3-amino-4-methylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 83068741
(3-bromophenyl)-(2,5-dibromo-4-methylphenyl)methanone
CID 81467352
(4-ethylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 83057344
[3-(3-bromobenzoyl)phenyl] acetate
CID 24722940
(5-bromo-2-methoxyphenyl)-(3-bromophenyl)methanone
CID 43161777
(3-fluoro-4-methoxyphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 83044007
[3-(3-bromophenoxy)phenyl]-(3-bromophenyl)methanone
CID 22494542
(4-methoxy-3,5-dimethylphenyl)-(2,4,6-trimethylphenyl)methanone
CID 83043829
(3-bromophenyl)-(3-fluorophenyl)methanone
CID 19780750
1-(3-bromophenyl)butan-1-one
CID 18417701

Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-(4-methoxy-3,5-dimethylphenyl)methanone?
The IUPAC name of (3-bromophenyl)-(4-methoxy-3,5-dimethylphenyl)methanone (CID 2756950) is (3-bromophenyl)-(4-methoxy-3,5-dimethylphenyl)methanone.
What is the SMILES notation for (3-bromophenyl)-(4-methoxy-3,5-dimethylphenyl)methanone?
The canonical SMILES for (3-bromophenyl)-(4-methoxy-3,5-dimethylphenyl)methanone is COc1c(C)cc(C(=O)c2cccc(Br)c2)cc1C.
What is the InChIKey of (3-bromophenyl)-(4-methoxy-3,5-dimethylphenyl)methanone?
The InChIKey is KWFIRZWGVDVOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO2/c1-10-7-13(8-11(2)16(10)19-3)15(18)12-5-4-6-14(17)9-12/h4-9H,1-3H3.
What are the key properties of (3-bromophenyl)-(4-methoxy-3,5-dimethylphenyl)methanone?
(3-bromophenyl)-(4-methoxy-3,5-dimethylphenyl)methanone has a molecular weight of 319.20 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-(4-methoxy-3,5-dimethylphenyl)methanone is sourced from PubChem (CID 2756950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).