1-bromo-2-fluoro-4-methoxy-3-methyl-5-prop-1-enylbenzene

C11H12BrFO — CID 91061363

IUPAC1-bromo-2-fluoro-4-methoxy-3-methyl-5-prop-1-enylbenzene
SMILESCC=Cc1cc(Br)c(F)c(C)c1OC
InChIInChI=1S/C11H12BrFO/c1-4-5-8-6-9(12)10(13)7(2)11(8)14-3/h4-6H,1-3H3
InChIKeyZQMIPMVBJIFZOO-UHFFFAOYSA-N
MW259.12 g/mol
LogP3.94
Rot. Bonds2

About 1-bromo-2-fluoro-4-methoxy-3-methyl-5-prop-1-enylbenzene

1-bromo-2-fluoro-4-methoxy-3-methyl-5-prop-1-enylbenzene (PubChem CID 91061363) has the molecular formula C11H12BrFO and a molecular weight of 259.12 g/mol. Its IUPAC name is 1-bromo-2-fluoro-4-methoxy-3-methyl-5-prop-1-enylbenzene.

Molecular Properties

Compound Name1-bromo-2-fluoro-4-methoxy-3-methyl-5-prop-1-enylbenzene
PubChem CID91061363
Molecular FormulaC11H12BrFO
Molecular Weight259.12 g/mol
Exact Mass258.01
IUPAC Name1-bromo-2-fluoro-4-methoxy-3-methyl-5-prop-1-enylbenzene
SMILESCC=Cc1cc(Br)c(F)c(C)c1OC
InChIInChI=1S/C11H12BrFO/c1-4-5-8-6-9(12)10(13)7(2)11(8)14-3/h4-6H,1-3H3
InChIKeyZQMIPMVBJIFZOO-UHFFFAOYSA-N
XLogP3.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.12
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5-bromo-4-fluoro-2-methoxy-3-methylphenyl)-2-oxoacetic acid
CID 117469922
5-bromo-4-fluoro-2,3-dimethoxybenzaldehyde
CID 84710945
(E)-3-(5-bromo-2,4-dimethoxy-3-methylphenyl)prop-2-en-1-amine
CID 117460762
(E)-3-(5-chloro-4-fluoro-2-methoxy-3-methylphenyl)prop-2-en-1-amine
CID 117331527
1,2,5-trimethoxy-3-[(E)-prop-1-enyl]benzene
CID 10443032
4-(5-bromo-4-fluoro-2-methoxy-3-methylphenyl)-1H-pyrazol-5-amine
CID 117482951
1,5-dibromo-2,4-bis(prop-1-enyl)benzene
CID 138976550
5-bromo-3-fluoro-2-hydroxy-4-methoxybenzaldehyde
CID 84803664
2,3,6-trimethoxy-5-prop-1-enylphenol
CID 85344788
5-bromo-1-(1-chlorocyclopropyl)-2-methoxy-3-prop-1-enylbenzene
CID 90780302
2-fluoro-3,4-dimethoxy-5-methylbenzaldehyde
CID 105451300
(3-bromo-2-fluoro-6-methoxy-5-methylphenyl)methanol
CID 84706876

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-fluoro-4-methoxy-3-methyl-5-prop-1-enylbenzene?
The IUPAC name of 1-bromo-2-fluoro-4-methoxy-3-methyl-5-prop-1-enylbenzene (CID 91061363) is 1-bromo-2-fluoro-4-methoxy-3-methyl-5-prop-1-enylbenzene.
What is the SMILES notation for 1-bromo-2-fluoro-4-methoxy-3-methyl-5-prop-1-enylbenzene?
The canonical SMILES for 1-bromo-2-fluoro-4-methoxy-3-methyl-5-prop-1-enylbenzene is CC=Cc1cc(Br)c(F)c(C)c1OC.
What is the InChIKey of 1-bromo-2-fluoro-4-methoxy-3-methyl-5-prop-1-enylbenzene?
The InChIKey is ZQMIPMVBJIFZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFO/c1-4-5-8-6-9(12)10(13)7(2)11(8)14-3/h4-6H,1-3H3.
What are the key properties of 1-bromo-2-fluoro-4-methoxy-3-methyl-5-prop-1-enylbenzene?
1-bromo-2-fluoro-4-methoxy-3-methyl-5-prop-1-enylbenzene has a molecular weight of 259.12 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-fluoro-4-methoxy-3-methyl-5-prop-1-enylbenzene is sourced from PubChem (CID 91061363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).