(3,5-dibromo-4-methylphenyl)-(3,4-dimethoxyphenyl)methanone

C16H14Br2O3 — CID 170985664

IUPAC(3,5-dibromo-4-methylphenyl)-(3,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cc(Br)c(C)c(Br)c2)cc1OC
InChIInChI=1S/C16H14Br2O3/c1-9-12(17)6-11(7-13(9)18)16(19)10-4-5-14(20-2)15(8-10)21-3/h4-8H,1-3H3
InChIKeyXWODPUHAXYDTEX-UHFFFAOYSA-N
MW414.09 g/mol
LogP4.77
Rot. Bonds4

About (3,5-dibromo-4-methylphenyl)-(3,4-dimethoxyphenyl)methanone

(3,5-dibromo-4-methylphenyl)-(3,4-dimethoxyphenyl)methanone (PubChem CID 170985664) has the molecular formula C16H14Br2O3 and a molecular weight of 414.09 g/mol. Its IUPAC name is (3,5-dibromo-4-methylphenyl)-(3,4-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name(3,5-dibromo-4-methylphenyl)-(3,4-dimethoxyphenyl)methanone
PubChem CID170985664
Molecular FormulaC16H14Br2O3
Molecular Weight414.09 g/mol
Exact Mass411.93
IUPAC Name(3,5-dibromo-4-methylphenyl)-(3,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cc(Br)c(C)c(Br)c2)cc1OC
InChIInChI=1S/C16H14Br2O3/c1-9-12(17)6-11(7-13(9)18)16(19)10-4-5-14(20-2)15(8-10)21-3/h4-8H,1-3H3
InChIKeyXWODPUHAXYDTEX-UHFFFAOYSA-N
XLogP4.77
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.09
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-dibromophenyl)-(3,4-dimethoxyphenyl)methanone
CID 107976718
(3-bromo-4-methoxyphenyl)-(3-bromo-5-methylphenyl)methanone
CID 104850964
(3,4-dimethoxyphenyl)-(3-fluoro-5-methylphenyl)methanone
CID 79020421
(2,5-dibromophenyl)-(3,4-dimethoxyphenyl)methanone
CID 114368506
(3-bromo-4-methylphenyl)-(3-chloro-4-methoxyphenyl)methanone
CID 81471530
(3-bromo-4-methoxyphenyl)-(4-methylsulfonylphenyl)methanone
CID 43339877
(2-bromo-4-chlorophenyl)-(3,4-dimethoxyphenyl)methanone
CID 107987119
(3-bromo-4-methoxyphenyl)-(3-methoxyphenyl)methanone
CID 43161767
(2-bromo-3,4-dimethoxyphenyl)-(3,4-dimethoxyphenyl)methanone
CID 129012233
(3-bromo-4-methoxyphenyl)-(2,3-difluoro-4-methylphenyl)methanone
CID 107512834
(3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methanone
CID 14297393
(3-bromo-4-methoxyphenyl)-(1H-pyrrol-3-yl)methanone
CID 63750525

Frequently Asked Questions

What is the IUPAC name of (3,5-dibromo-4-methylphenyl)-(3,4-dimethoxyphenyl)methanone?
The IUPAC name of (3,5-dibromo-4-methylphenyl)-(3,4-dimethoxyphenyl)methanone (CID 170985664) is (3,5-dibromo-4-methylphenyl)-(3,4-dimethoxyphenyl)methanone.
What is the SMILES notation for (3,5-dibromo-4-methylphenyl)-(3,4-dimethoxyphenyl)methanone?
The canonical SMILES for (3,5-dibromo-4-methylphenyl)-(3,4-dimethoxyphenyl)methanone is COc1ccc(C(=O)c2cc(Br)c(C)c(Br)c2)cc1OC.
What is the InChIKey of (3,5-dibromo-4-methylphenyl)-(3,4-dimethoxyphenyl)methanone?
The InChIKey is XWODPUHAXYDTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Br2O3/c1-9-12(17)6-11(7-13(9)18)16(19)10-4-5-14(20-2)15(8-10)21-3/h4-8H,1-3H3.
What are the key properties of (3,5-dibromo-4-methylphenyl)-(3,4-dimethoxyphenyl)methanone?
(3,5-dibromo-4-methylphenyl)-(3,4-dimethoxyphenyl)methanone has a molecular weight of 414.09 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dibromo-4-methylphenyl)-(3,4-dimethoxyphenyl)methanone is sourced from PubChem (CID 170985664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).