1-bromo-4-(difluoromethoxy)-3-methoxy-2-propoxybenzene

C11H13BrF2O3 — CID 67463066

IUPAC1-bromo-4-(difluoromethoxy)-3-methoxy-2-propoxybenzene
SMILESCCCOc1c(Br)ccc(OC(F)F)c1OC
InChIInChI=1S/C11H13BrF2O3/c1-3-6-16-9-7(12)4-5-8(10(9)15-2)17-11(13)14/h4-5,11H,3,6H2,1-2H3
InChIKeyMZYGSIJJYZCXFZ-UHFFFAOYSA-N
MW311.12 g/mol
LogP3.85
Rot. Bonds6

About 1-bromo-4-(difluoromethoxy)-3-methoxy-2-propoxybenzene

1-bromo-4-(difluoromethoxy)-3-methoxy-2-propoxybenzene (PubChem CID 67463066) has the molecular formula C11H13BrF2O3 and a molecular weight of 311.12 g/mol. Its IUPAC name is 1-bromo-4-(difluoromethoxy)-3-methoxy-2-propoxybenzene.

Molecular Properties

Compound Name1-bromo-4-(difluoromethoxy)-3-methoxy-2-propoxybenzene
PubChem CID67463066
Molecular FormulaC11H13BrF2O3
Molecular Weight311.12 g/mol
Exact Mass310.00
IUPAC Name1-bromo-4-(difluoromethoxy)-3-methoxy-2-propoxybenzene
SMILESCCCOc1c(Br)ccc(OC(F)F)c1OC
InChIInChI=1S/C11H13BrF2O3/c1-3-6-16-9-7(12)4-5-8(10(9)15-2)17-11(13)14/h4-5,11H,3,6H2,1-2H3
InChIKeyMZYGSIJJYZCXFZ-UHFFFAOYSA-N
XLogP3.85
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.12
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(difluoromethoxy)-3-methoxy-2-propoxybenzene?
The IUPAC name of 1-bromo-4-(difluoromethoxy)-3-methoxy-2-propoxybenzene (CID 67463066) is 1-bromo-4-(difluoromethoxy)-3-methoxy-2-propoxybenzene.
What is the SMILES notation for 1-bromo-4-(difluoromethoxy)-3-methoxy-2-propoxybenzene?
The canonical SMILES for 1-bromo-4-(difluoromethoxy)-3-methoxy-2-propoxybenzene is CCCOc1c(Br)ccc(OC(F)F)c1OC.
What is the InChIKey of 1-bromo-4-(difluoromethoxy)-3-methoxy-2-propoxybenzene?
The InChIKey is MZYGSIJJYZCXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF2O3/c1-3-6-16-9-7(12)4-5-8(10(9)15-2)17-11(13)14/h4-5,11H,3,6H2,1-2H3.
What are the key properties of 1-bromo-4-(difluoromethoxy)-3-methoxy-2-propoxybenzene?
1-bromo-4-(difluoromethoxy)-3-methoxy-2-propoxybenzene has a molecular weight of 311.12 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(difluoromethoxy)-3-methoxy-2-propoxybenzene is sourced from PubChem (CID 67463066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).