1-bromo-2-[(2-ethylphenyl)methoxy]-4-fluorobenzene

C15H14BrFO — CID 90947623

IUPAC1-bromo-2-[(2-ethylphenyl)methoxy]-4-fluorobenzene
SMILESCCc1ccccc1COc1cc(F)ccc1Br
InChIInChI=1S/C15H14BrFO/c1-2-11-5-3-4-6-12(11)10-18-15-9-13(17)7-8-14(15)16/h3-9H,2,10H2,1H3
InChIKeyXRLLMGOLRSFXLL-UHFFFAOYSA-N
MW309.18 g/mol
LogP4.73
Rot. Bonds4

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

1-bromo-2-[(2-ethylphenyl)methoxy]-4-fluorobenzene (PubChem CID 90947623) has the molecular formula C15H14BrFO and a molecular weight of 309.18 g/mol. Its IUPAC name is 1-bromo-2-[(2-ethylphenyl)methoxy]-4-fluorobenzene.

Molecular Properties

Compound Name1-bromo-2-[(2-ethylphenyl)methoxy]-4-fluorobenzene
PubChem CID90947623
Molecular FormulaC15H14BrFO
Molecular Weight309.18 g/mol
Exact Mass308.02
IUPAC Name1-bromo-2-[(2-ethylphenyl)methoxy]-4-fluorobenzene
SMILESCCc1ccccc1COc1cc(F)ccc1Br
InChIInChI=1S/C15H14BrFO/c1-2-11-5-3-4-6-12(11)10-18-15-9-13(17)7-8-14(15)16/h3-9H,2,10H2,1H3
InChIKeyXRLLMGOLRSFXLL-UHFFFAOYSA-N
XLogP4.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.18
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[(2-ethylphenyl)methoxy]-4-fluorobenzene?
The IUPAC name of 1-bromo-2-[(2-ethylphenyl)methoxy]-4-fluorobenzene (CID 90947623) is 1-bromo-2-[(2-ethylphenyl)methoxy]-4-fluorobenzene.
What is the SMILES notation for 1-bromo-2-[(2-ethylphenyl)methoxy]-4-fluorobenzene?
The canonical SMILES for 1-bromo-2-[(2-ethylphenyl)methoxy]-4-fluorobenzene is CCc1ccccc1COc1cc(F)ccc1Br.
What is the InChIKey of 1-bromo-2-[(2-ethylphenyl)methoxy]-4-fluorobenzene?
The InChIKey is XRLLMGOLRSFXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFO/c1-2-11-5-3-4-6-12(11)10-18-15-9-13(17)7-8-14(15)16/h3-9H,2,10H2,1H3.
What are the key properties of 1-bromo-2-[(2-ethylphenyl)methoxy]-4-fluorobenzene?
1-bromo-2-[(2-ethylphenyl)methoxy]-4-fluorobenzene has a molecular weight of 309.18 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[(2-ethylphenyl)methoxy]-4-fluorobenzene is sourced from PubChem (CID 90947623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).