(6-bromo-2,3,4-trimethoxyphenyl)-(4-propylphenyl)methanone

C19H21BrO4 — CID 166522819

IUPAC(6-bromo-2,3,4-trimethoxyphenyl)-(4-propylphenyl)methanone
SMILESCCCc1ccc(C(=O)c2c(Br)cc(OC)c(OC)c2OC)cc1
InChIInChI=1S/C19H21BrO4/c1-5-6-12-7-9-13(10-8-12)17(21)16-14(20)11-15(22-2)18(23-3)19(16)24-4/h7-11H,5-6H2,1-4H3
InChIKeyYUHJRWGQXWUGAV-UHFFFAOYSA-N
MW393.28 g/mol
LogP4.66
Rot. Bonds7

About (6-bromo-2,3,4-trimethoxyphenyl)-(4-propylphenyl)methanone

(6-bromo-2,3,4-trimethoxyphenyl)-(4-propylphenyl)methanone (PubChem CID 166522819) has the molecular formula C19H21BrO4 and a molecular weight of 393.28 g/mol. Its IUPAC name is (6-bromo-2,3,4-trimethoxyphenyl)-(4-propylphenyl)methanone.

Molecular Properties

Compound Name(6-bromo-2,3,4-trimethoxyphenyl)-(4-propylphenyl)methanone
PubChem CID166522819
Molecular FormulaC19H21BrO4
Molecular Weight393.28 g/mol
Exact Mass392.06
IUPAC Name(6-bromo-2,3,4-trimethoxyphenyl)-(4-propylphenyl)methanone
SMILESCCCc1ccc(C(=O)c2c(Br)cc(OC)c(OC)c2OC)cc1
InChIInChI=1S/C19H21BrO4/c1-5-6-12-7-9-13(10-8-12)17(21)16-14(20)11-15(22-2)18(23-3)19(16)24-4/h7-11H,5-6H2,1-4H3
InChIKeyYUHJRWGQXWUGAV-UHFFFAOYSA-N
XLogP4.66
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.28
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-bromo-2,3,4-trimethoxyphenyl)ethanone
CID 117466722
(5-chloro-2-methoxyphenyl)-(4-propylphenyl)methanone
CID 43338022
3,4-dimethoxy-5-(4-propylphenoxy)benzoic acid
CID 142698609
(4-bromo-2-methoxyphenyl)-(4-butylphenyl)methanone
CID 115368728
(3,5-dibromo-2-pyridinyl)-(4-propylphenyl)methanone
CID 113398277
1,2,3-trimethoxy-7-propylnaphthalene
CID 150838328
(3-bromo-2-methoxy-6-methylphenyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone
CID 18185404
(2,6-dimethoxyphenyl)-(4-ethylphenyl)methanone
CID 43338330
(4-butylphenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 63492657
(6-methoxypyridazin-3-yl)-(4-propylphenyl)methanone
CID 103373224
(5-bromothiophen-2-yl)-(4-propylphenyl)methanone
CID 43462756
N-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-(4-propylphenoxy)acetamide
CID 19183176

Frequently Asked Questions

What is the IUPAC name of (6-bromo-2,3,4-trimethoxyphenyl)-(4-propylphenyl)methanone?
The IUPAC name of (6-bromo-2,3,4-trimethoxyphenyl)-(4-propylphenyl)methanone (CID 166522819) is (6-bromo-2,3,4-trimethoxyphenyl)-(4-propylphenyl)methanone.
What is the SMILES notation for (6-bromo-2,3,4-trimethoxyphenyl)-(4-propylphenyl)methanone?
The canonical SMILES for (6-bromo-2,3,4-trimethoxyphenyl)-(4-propylphenyl)methanone is CCCc1ccc(C(=O)c2c(Br)cc(OC)c(OC)c2OC)cc1.
What is the InChIKey of (6-bromo-2,3,4-trimethoxyphenyl)-(4-propylphenyl)methanone?
The InChIKey is YUHJRWGQXWUGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrO4/c1-5-6-12-7-9-13(10-8-12)17(21)16-14(20)11-15(22-2)18(23-3)19(16)24-4/h7-11H,5-6H2,1-4H3.
What are the key properties of (6-bromo-2,3,4-trimethoxyphenyl)-(4-propylphenyl)methanone?
(6-bromo-2,3,4-trimethoxyphenyl)-(4-propylphenyl)methanone has a molecular weight of 393.28 g/mol, XLogP of 4.66, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-2,3,4-trimethoxyphenyl)-(4-propylphenyl)methanone is sourced from PubChem (CID 166522819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).