1-bromo-2-fluoro-5-methoxy-4-(2-methylpropoxy)benzene

C11H14BrFO2 — CID 155923679

IUPAC1-bromo-2-fluoro-5-methoxy-4-(2-methylpropoxy)benzene
SMILESCOc1cc(Br)c(F)cc1OCC(C)C
InChIInChI=1S/C11H14BrFO2/c1-7(2)6-15-11-5-9(13)8(12)4-10(11)14-3/h4-5,7H,6H2,1-3H3
InChIKeyGJFDEHJNNXEGCV-UHFFFAOYSA-N
MW277.13 g/mol
LogP3.63
Rot. Bonds4

About 1-bromo-2-fluoro-5-methoxy-4-(2-methylpropoxy)benzene

1-bromo-2-fluoro-5-methoxy-4-(2-methylpropoxy)benzene (PubChem CID 155923679) has the molecular formula C11H14BrFO2 and a molecular weight of 277.13 g/mol. Its IUPAC name is 1-bromo-2-fluoro-5-methoxy-4-(2-methylpropoxy)benzene.

Molecular Properties

Compound Name1-bromo-2-fluoro-5-methoxy-4-(2-methylpropoxy)benzene
PubChem CID155923679
Molecular FormulaC11H14BrFO2
Molecular Weight277.13 g/mol
Exact Mass276.02
IUPAC Name1-bromo-2-fluoro-5-methoxy-4-(2-methylpropoxy)benzene
SMILESCOc1cc(Br)c(F)cc1OCC(C)C
InChIInChI=1S/C11H14BrFO2/c1-7(2)6-15-11-5-9(13)8(12)4-10(11)14-3/h4-5,7H,6H2,1-3H3
InChIKeyGJFDEHJNNXEGCV-UHFFFAOYSA-N
XLogP3.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.13
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-4-ethoxy-2-fluoro-5-methoxybenzene
CID 69098703
1-bromo-2-fluoro-5-methoxy-4-(2,2,2-trifluoroethoxy)benzene
CID 155923682
1-bromo-2,4-difluoro-5-methoxybenzene
CID 68809379
1-bromo-2,4-difluoro-5-methoxybenzene;1,5-dibromo-2,4-difluorobenzene
CID 160948339
4-bromo-2-fluoro-5-(2-methylpropoxy)aniline
CID 139036041
1-fluoro-4,5-dimethyl-2-(2-methylpropoxy)benzene
CID 154939698
5-bromo-2-(2,2-difluoroethoxy)-4-fluoroaniline
CID 82004312
4-(bromomethyl)-2-methoxy-1-(2-methylpropoxy)benzene
CID 43141726
1-bromo-5-(1-chloro-3,4,4-trimethylpentyl)-2-fluoro-4-methoxybenzene
CID 103396310
1,2-difluoro-4,5-dimethoxybenzene
CID 853175
1-bromo-4,5-dimethoxy-2-(2-methylpropyl)benzene
CID 138723532
1-methoxy-2-(2-methylpropoxy)-4-(trifluoromethyl)benzene
CID 163970226

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-fluoro-5-methoxy-4-(2-methylpropoxy)benzene?
The IUPAC name of 1-bromo-2-fluoro-5-methoxy-4-(2-methylpropoxy)benzene (CID 155923679) is 1-bromo-2-fluoro-5-methoxy-4-(2-methylpropoxy)benzene.
What is the SMILES notation for 1-bromo-2-fluoro-5-methoxy-4-(2-methylpropoxy)benzene?
The canonical SMILES for 1-bromo-2-fluoro-5-methoxy-4-(2-methylpropoxy)benzene is COc1cc(Br)c(F)cc1OCC(C)C.
What is the InChIKey of 1-bromo-2-fluoro-5-methoxy-4-(2-methylpropoxy)benzene?
The InChIKey is GJFDEHJNNXEGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFO2/c1-7(2)6-15-11-5-9(13)8(12)4-10(11)14-3/h4-5,7H,6H2,1-3H3.
What are the key properties of 1-bromo-2-fluoro-5-methoxy-4-(2-methylpropoxy)benzene?
1-bromo-2-fluoro-5-methoxy-4-(2-methylpropoxy)benzene has a molecular weight of 277.13 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-fluoro-5-methoxy-4-(2-methylpropoxy)benzene is sourced from PubChem (CID 155923679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).