1-bromo-4-fluoro-2-methoxy-3-propan-2-yloxybenzene

C10H12BrFO2 — CID 155293778

IUPAC1-bromo-4-fluoro-2-methoxy-3-propan-2-yloxybenzene
SMILESCOc1c(Br)ccc(F)c1OC(C)C
InChIInChI=1S/C10H12BrFO2/c1-6(2)14-10-8(12)5-4-7(11)9(10)13-3/h4-6H,1-3H3
InChIKeyBOSVQCLXFLBALF-UHFFFAOYSA-N
MW263.11 g/mol
LogP3.38
Rot. Bonds3

About 1-bromo-4-fluoro-2-methoxy-3-propan-2-yloxybenzene

1-bromo-4-fluoro-2-methoxy-3-propan-2-yloxybenzene (PubChem CID 155293778) has the molecular formula C10H12BrFO2 and a molecular weight of 263.11 g/mol. Its IUPAC name is 1-bromo-4-fluoro-2-methoxy-3-propan-2-yloxybenzene.

Molecular Properties

Compound Name1-bromo-4-fluoro-2-methoxy-3-propan-2-yloxybenzene
PubChem CID155293778
Molecular FormulaC10H12BrFO2
Molecular Weight263.11 g/mol
Exact Mass262.00
IUPAC Name1-bromo-4-fluoro-2-methoxy-3-propan-2-yloxybenzene
SMILESCOc1c(Br)ccc(F)c1OC(C)C
InChIInChI=1S/C10H12BrFO2/c1-6(2)14-10-8(12)5-4-7(11)9(10)13-3/h4-6H,1-3H3
InChIKeyBOSVQCLXFLBALF-UHFFFAOYSA-N
XLogP3.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.11
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-4-fluoro-2,3-dimethoxybenzene
CID 58420229
1-fluoro-2-methoxy-4-methyl-3-propan-2-yloxybenzene
CID 130057945
1,4-dibromo-2,3-dimethoxybenzene
CID 15784959
1-bromo-2,4-difluoro-3-methoxybenzene
CID 18371109
1-bromo-2-fluoro-4-methoxy-3-propan-2-yloxybenzene
CID 125116564
1-(6-bromo-3-fluoro-2-methoxyphenyl)ethanol
CID 84706864
6-bromo-3-fluoro-2-methoxybenzenethiol
CID 171005789
2-(3-bromo-6-fluoro-2-methoxyphenyl)propanoic acid
CID 83904485
1-bromo-4-fluoro-3-methoxy-2-(trifluoromethyl)benzene
CID 131371820
(4-bromo-2-fluoro-3-propan-2-yloxyphenyl)methanol
CID 164892261
1-bromo-4-fluoro-2-methoxy-3-(methoxymethyl)benzene
CID 166159524
4-bromo-2-methoxy-3-propan-2-yloxypyridine
CID 141302692

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-fluoro-2-methoxy-3-propan-2-yloxybenzene?
The IUPAC name of 1-bromo-4-fluoro-2-methoxy-3-propan-2-yloxybenzene (CID 155293778) is 1-bromo-4-fluoro-2-methoxy-3-propan-2-yloxybenzene.
What is the SMILES notation for 1-bromo-4-fluoro-2-methoxy-3-propan-2-yloxybenzene?
The canonical SMILES for 1-bromo-4-fluoro-2-methoxy-3-propan-2-yloxybenzene is COc1c(Br)ccc(F)c1OC(C)C.
What is the InChIKey of 1-bromo-4-fluoro-2-methoxy-3-propan-2-yloxybenzene?
The InChIKey is BOSVQCLXFLBALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFO2/c1-6(2)14-10-8(12)5-4-7(11)9(10)13-3/h4-6H,1-3H3.
What are the key properties of 1-bromo-4-fluoro-2-methoxy-3-propan-2-yloxybenzene?
1-bromo-4-fluoro-2-methoxy-3-propan-2-yloxybenzene has a molecular weight of 263.11 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-fluoro-2-methoxy-3-propan-2-yloxybenzene is sourced from PubChem (CID 155293778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).