1-bromo-2-ethyl-5-fluoro-3-methoxy-4-methylbenzene

C10H12BrFO — CID 84706033

IUPAC1-bromo-2-ethyl-5-fluoro-3-methoxy-4-methylbenzene
SMILESCCc1c(Br)cc(F)c(C)c1OC
InChIInChI=1S/C10H12BrFO/c1-4-7-8(11)5-9(12)6(2)10(7)13-3/h5H,4H2,1-3H3
InChIKeyTVOVPZMXZNIQGP-UHFFFAOYSA-N
MW247.11 g/mol
LogP3.47
Rot. Bonds2

About 1-bromo-2-ethyl-5-fluoro-3-methoxy-4-methylbenzene

1-bromo-2-ethyl-5-fluoro-3-methoxy-4-methylbenzene (PubChem CID 84706033) has the molecular formula C10H12BrFO and a molecular weight of 247.11 g/mol. Its IUPAC name is 1-bromo-2-ethyl-5-fluoro-3-methoxy-4-methylbenzene.

Molecular Properties

Compound Name1-bromo-2-ethyl-5-fluoro-3-methoxy-4-methylbenzene
PubChem CID84706033
Molecular FormulaC10H12BrFO
Molecular Weight247.11 g/mol
Exact Mass246.01
IUPAC Name1-bromo-2-ethyl-5-fluoro-3-methoxy-4-methylbenzene
SMILESCCc1c(Br)cc(F)c(C)c1OC
InChIInChI=1S/C10H12BrFO/c1-4-7-8(11)5-9(12)6(2)10(7)13-3/h5H,4H2,1-3H3
InChIKeyTVOVPZMXZNIQGP-UHFFFAOYSA-N
XLogP3.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.11
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-ethyl-5-fluoro-3-methoxy-4-methylbenzene?
The IUPAC name of 1-bromo-2-ethyl-5-fluoro-3-methoxy-4-methylbenzene (CID 84706033) is 1-bromo-2-ethyl-5-fluoro-3-methoxy-4-methylbenzene.
What is the SMILES notation for 1-bromo-2-ethyl-5-fluoro-3-methoxy-4-methylbenzene?
The canonical SMILES for 1-bromo-2-ethyl-5-fluoro-3-methoxy-4-methylbenzene is CCc1c(Br)cc(F)c(C)c1OC.
What is the InChIKey of 1-bromo-2-ethyl-5-fluoro-3-methoxy-4-methylbenzene?
The InChIKey is TVOVPZMXZNIQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFO/c1-4-7-8(11)5-9(12)6(2)10(7)13-3/h5H,4H2,1-3H3.
What are the key properties of 1-bromo-2-ethyl-5-fluoro-3-methoxy-4-methylbenzene?
1-bromo-2-ethyl-5-fluoro-3-methoxy-4-methylbenzene has a molecular weight of 247.11 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-ethyl-5-fluoro-3-methoxy-4-methylbenzene is sourced from PubChem (CID 84706033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).