(3-bromo-2-methoxy-6-methylphenyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone

C19H21BrO5 — CID 18185404

IUPAC(3-bromo-2-methoxy-6-methylphenyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone
SMILESCOc1cc(C)c(C(=O)c2c(C)ccc(Br)c2OC)c(OC)c1OC
InChIInChI=1S/C19H21BrO5/c1-10-7-8-12(20)17(23-4)14(10)16(21)15-11(2)9-13(22-3)18(24-5)19(15)25-6/h7-9H,1-6H3
InChIKeyVHIKFOUTIYKQCM-UHFFFAOYSA-N
MW409.28 g/mol
LogP4.33
Rot. Bonds6

About (3-bromo-2-methoxy-6-methylphenyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone

(3-bromo-2-methoxy-6-methylphenyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone (PubChem CID 18185404) has the molecular formula C19H21BrO5 and a molecular weight of 409.28 g/mol. Its IUPAC name is (3-bromo-2-methoxy-6-methylphenyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone.

Molecular Properties

Compound Name(3-bromo-2-methoxy-6-methylphenyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone
PubChem CID18185404
Molecular FormulaC19H21BrO5
Molecular Weight409.28 g/mol
Exact Mass408.06
IUPAC Name(3-bromo-2-methoxy-6-methylphenyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone
SMILESCOc1cc(C)c(C(=O)c2c(C)ccc(Br)c2OC)c(OC)c1OC
InChIInChI=1S/C19H21BrO5/c1-10-7-8-12(20)17(23-4)14(10)16(21)15-11(2)9-13(22-3)18(24-5)19(15)25-6/h7-9H,1-6H3
InChIKeyVHIKFOUTIYKQCM-UHFFFAOYSA-N
XLogP4.33
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.28
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-methoxy-2,6-dimethylphenyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone
CID 22671386
(2,6-dimethyl-3-nitrophenyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone
CID 22671380
[3-methyl-2-(2,3,4-trimethoxy-6-methylbenzoyl)phenyl] acetate
CID 22671378
(5-bromo-4-chloro-2-methoxy-3-pyridinyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone
CID 11262685
(3-bromo-6-methoxy-2-methylphenyl)-[2-(hydroxymethyl)-3,4-dimethoxy-6-methylphenyl]methanone
CID 90867708
methyl 2,3,4-trimethoxy-6-methylbenzoate
CID 59466592
1-(3-bromo-2-methoxy-6-methylphenyl)-2-chloroethanone
CID 171004605
benzoyl bromide;phenyl-(2,3,4-trimethoxy-6-methylphenyl)methanone;1,2,3-trimethoxy-5-methylbenzene
CID 158614208
(4-bromo-5-chloro-2-ethoxy-1H-pyrrol-3-yl)-(2,3,4-trimethoxy-6-methylphenyl)methanone
CID 150856524
(3,4-dimethoxy-6-methyl-2-phenylmethoxyphenyl)-(2,6-dimethylphenyl)methanone
CID 22719952
1-(6-bromo-2,3,4-trimethoxyphenyl)ethanone
CID 117466722
[2-(3-bromo-6-methoxy-2-methylbenzoyl)-5-methoxy-3-methyl-6-propoxyphenyl] acetate
CID 59918069

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-methoxy-6-methylphenyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone?
The IUPAC name of (3-bromo-2-methoxy-6-methylphenyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone (CID 18185404) is (3-bromo-2-methoxy-6-methylphenyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone.
What is the SMILES notation for (3-bromo-2-methoxy-6-methylphenyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone?
The canonical SMILES for (3-bromo-2-methoxy-6-methylphenyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone is COc1cc(C)c(C(=O)c2c(C)ccc(Br)c2OC)c(OC)c1OC.
What is the InChIKey of (3-bromo-2-methoxy-6-methylphenyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone?
The InChIKey is VHIKFOUTIYKQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrO5/c1-10-7-8-12(20)17(23-4)14(10)16(21)15-11(2)9-13(22-3)18(24-5)19(15)25-6/h7-9H,1-6H3.
What are the key properties of (3-bromo-2-methoxy-6-methylphenyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone?
(3-bromo-2-methoxy-6-methylphenyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone has a molecular weight of 409.28 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-methoxy-6-methylphenyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone is sourced from PubChem (CID 18185404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).