2-bromo-4-[cyclopropyl-(4-ethoxyphenyl)methoxy]-1-fluorobenzene

C18H18BrFO2 — CID 86122322

IUPAC2-bromo-4-[cyclopropyl-(4-ethoxyphenyl)methoxy]-1-fluorobenzene
SMILESCCOc1ccc(C(Oc2ccc(F)c(Br)c2)C2CC2)cc1
InChIInChI=1S/C18H18BrFO2/c1-2-21-14-7-5-13(6-8-14)18(12-3-4-12)22-15-9-10-17(20)16(19)11-15/h5-12,18H,2-4H2,1H3
InChIKeyGIDLOYSUGPXAMV-UHFFFAOYSA-N
MW365.24 g/mol
LogP5.52
Rot. Bonds6

About 2-bromo-4-[cyclopropyl-(4-ethoxyphenyl)methoxy]-1-fluorobenzene

2-bromo-4-[cyclopropyl-(4-ethoxyphenyl)methoxy]-1-fluorobenzene (PubChem CID 86122322) has the molecular formula C18H18BrFO2 and a molecular weight of 365.24 g/mol. Its IUPAC name is 2-bromo-4-[cyclopropyl-(4-ethoxyphenyl)methoxy]-1-fluorobenzene.

Molecular Properties

Compound Name2-bromo-4-[cyclopropyl-(4-ethoxyphenyl)methoxy]-1-fluorobenzene
PubChem CID86122322
Molecular FormulaC18H18BrFO2
Molecular Weight365.24 g/mol
Exact Mass364.05
IUPAC Name2-bromo-4-[cyclopropyl-(4-ethoxyphenyl)methoxy]-1-fluorobenzene
SMILESCCOc1ccc(C(Oc2ccc(F)c(Br)c2)C2CC2)cc1
InChIInChI=1S/C18H18BrFO2/c1-2-21-14-7-5-13(6-8-14)18(12-3-4-12)22-15-9-10-17(20)16(19)11-15/h5-12,18H,2-4H2,1H3
InChIKeyGIDLOYSUGPXAMV-UHFFFAOYSA-N
XLogP5.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.24
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[cyclopropyl-(4-ethoxyphenyl)methoxy]-1-fluorobenzene?
The IUPAC name of 2-bromo-4-[cyclopropyl-(4-ethoxyphenyl)methoxy]-1-fluorobenzene (CID 86122322) is 2-bromo-4-[cyclopropyl-(4-ethoxyphenyl)methoxy]-1-fluorobenzene.
What is the SMILES notation for 2-bromo-4-[cyclopropyl-(4-ethoxyphenyl)methoxy]-1-fluorobenzene?
The canonical SMILES for 2-bromo-4-[cyclopropyl-(4-ethoxyphenyl)methoxy]-1-fluorobenzene is CCOc1ccc(C(Oc2ccc(F)c(Br)c2)C2CC2)cc1.
What is the InChIKey of 2-bromo-4-[cyclopropyl-(4-ethoxyphenyl)methoxy]-1-fluorobenzene?
The InChIKey is GIDLOYSUGPXAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrFO2/c1-2-21-14-7-5-13(6-8-14)18(12-3-4-12)22-15-9-10-17(20)16(19)11-15/h5-12,18H,2-4H2,1H3.
What are the key properties of 2-bromo-4-[cyclopropyl-(4-ethoxyphenyl)methoxy]-1-fluorobenzene?
2-bromo-4-[cyclopropyl-(4-ethoxyphenyl)methoxy]-1-fluorobenzene has a molecular weight of 365.24 g/mol, XLogP of 5.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[cyclopropyl-(4-ethoxyphenyl)methoxy]-1-fluorobenzene is sourced from PubChem (CID 86122322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).