1-bromo-5-(difluoromethoxy)-4-methoxy-2-(4-methoxy-3-methylphenyl)benzene

C16H15BrF2O3 — CID 90768818

IUPAC1-bromo-5-(difluoromethoxy)-4-methoxy-2-(4-methoxy-3-methylphenyl)benzene
SMILESCOc1ccc(-c2cc(OC)c(OC(F)F)cc2Br)cc1C
InChIInChI=1S/C16H15BrF2O3/c1-9-6-10(4-5-13(9)20-2)11-7-14(21-3)15(8-12(11)17)22-16(18)19/h4-8,16H,1-3H3
InChIKeyULRJGJDUVUJCPS-UHFFFAOYSA-N
MW373.19 g/mol
LogP5.04
Rot. Bonds5

About 1-bromo-5-(difluoromethoxy)-4-methoxy-2-(4-methoxy-3-methylphenyl)benzene

1-bromo-5-(difluoromethoxy)-4-methoxy-2-(4-methoxy-3-methylphenyl)benzene (PubChem CID 90768818) has the molecular formula C16H15BrF2O3 and a molecular weight of 373.19 g/mol. Its IUPAC name is 1-bromo-5-(difluoromethoxy)-4-methoxy-2-(4-methoxy-3-methylphenyl)benzene.

Molecular Properties

Compound Name1-bromo-5-(difluoromethoxy)-4-methoxy-2-(4-methoxy-3-methylphenyl)benzene
PubChem CID90768818
Molecular FormulaC16H15BrF2O3
Molecular Weight373.19 g/mol
Exact Mass372.02
IUPAC Name1-bromo-5-(difluoromethoxy)-4-methoxy-2-(4-methoxy-3-methylphenyl)benzene
SMILESCOc1ccc(-c2cc(OC)c(OC(F)F)cc2Br)cc1C
InChIInChI=1S/C16H15BrF2O3/c1-9-6-10(4-5-13(9)20-2)11-7-14(21-3)15(8-12(11)17)22-16(18)19/h4-8,16H,1-3H3
InChIKeyULRJGJDUVUJCPS-UHFFFAOYSA-N
XLogP5.04
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.19
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4-(difluoromethoxy)-5-methoxyaniline
CID 68604722
methane;1-methoxy-4-(4-methoxy-3-methylphenyl)-2-methylbenzene
CID 161175155
1,2,3,4,5-pentafluoro-6-(4-methoxy-3-methylphenyl)benzene
CID 134628428
3-fluoro-4-(4-methoxy-3-methylphenyl)aniline
CID 65436397
2-(4-methoxy-3-methylphenyl)phenol
CID 53218559
4-chloro-2-[3-(difluoromethoxy)-4-methoxyphenyl]-5,6-dimethylpyrimidine
CID 60996659
[4-fluoro-3-(4-methoxy-3-methylphenyl)phenyl]methanamine
CID 54910100
3-(4-methoxy-3-methylphenyl)-4-methylaniline
CID 55202323
1,4-bis(difluoromethoxy)-2-methylbenzene
CID 71140593
1-(difluoromethoxy)-4-fluoro-2-methylbenzene
CID 46311597
2-[4-(difluoromethoxy)-3-methoxyphenyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 19554615
4-tert-butyl-2-(difluoromethoxy)-1-methoxybenzene
CID 121300586

Frequently Asked Questions

What is the IUPAC name of 1-bromo-5-(difluoromethoxy)-4-methoxy-2-(4-methoxy-3-methylphenyl)benzene?
The IUPAC name of 1-bromo-5-(difluoromethoxy)-4-methoxy-2-(4-methoxy-3-methylphenyl)benzene (CID 90768818) is 1-bromo-5-(difluoromethoxy)-4-methoxy-2-(4-methoxy-3-methylphenyl)benzene.
What is the SMILES notation for 1-bromo-5-(difluoromethoxy)-4-methoxy-2-(4-methoxy-3-methylphenyl)benzene?
The canonical SMILES for 1-bromo-5-(difluoromethoxy)-4-methoxy-2-(4-methoxy-3-methylphenyl)benzene is COc1ccc(-c2cc(OC)c(OC(F)F)cc2Br)cc1C.
What is the InChIKey of 1-bromo-5-(difluoromethoxy)-4-methoxy-2-(4-methoxy-3-methylphenyl)benzene?
The InChIKey is ULRJGJDUVUJCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrF2O3/c1-9-6-10(4-5-13(9)20-2)11-7-14(21-3)15(8-12(11)17)22-16(18)19/h4-8,16H,1-3H3.
What are the key properties of 1-bromo-5-(difluoromethoxy)-4-methoxy-2-(4-methoxy-3-methylphenyl)benzene?
1-bromo-5-(difluoromethoxy)-4-methoxy-2-(4-methoxy-3-methylphenyl)benzene has a molecular weight of 373.19 g/mol, XLogP of 5.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-5-(difluoromethoxy)-4-methoxy-2-(4-methoxy-3-methylphenyl)benzene is sourced from PubChem (CID 90768818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).