1-bromo-3-[(4-ethylphenyl)methoxy]-5-fluorobenzene

C15H14BrFO — CID 81332352

IUPAC1-bromo-3-[(4-ethylphenyl)methoxy]-5-fluorobenzene
SMILESCCc1ccc(COc2cc(F)cc(Br)c2)cc1
InChIInChI=1S/C15H14BrFO/c1-2-11-3-5-12(6-4-11)10-18-15-8-13(16)7-14(17)9-15/h3-9H,2,10H2,1H3
InChIKeyBHNOQWMKEXRMOU-UHFFFAOYSA-N
MW309.18 g/mol
LogP4.73
Rot. Bonds4

About 1-bromo-3-[(4-ethylphenyl)methoxy]-5-fluorobenzene

1-bromo-3-[(4-ethylphenyl)methoxy]-5-fluorobenzene (PubChem CID 81332352) has the molecular formula C15H14BrFO and a molecular weight of 309.18 g/mol. Its IUPAC name is 1-bromo-3-[(4-ethylphenyl)methoxy]-5-fluorobenzene.

Molecular Properties

Compound Name1-bromo-3-[(4-ethylphenyl)methoxy]-5-fluorobenzene
PubChem CID81332352
Molecular FormulaC15H14BrFO
Molecular Weight309.18 g/mol
Exact Mass308.02
IUPAC Name1-bromo-3-[(4-ethylphenyl)methoxy]-5-fluorobenzene
SMILESCCc1ccc(COc2cc(F)cc(Br)c2)cc1
InChIInChI=1S/C15H14BrFO/c1-2-11-3-5-12(6-4-11)10-18-15-8-13(16)7-14(17)9-15/h3-9H,2,10H2,1H3
InChIKeyBHNOQWMKEXRMOU-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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Related Compounds

2-(3-bromo-5-fluorophenoxy)-1-(4-ethylphenyl)ethanone
CID 81331658
1-bromo-3-fluoro-5-phenylmethoxybenzene;phenylmethanol
CID 70121150
methyl 4-[(3-bromo-5-fluorophenoxy)methyl]-2-fluorobenzoate
CID 106698474
N-[[3-[(3-bromo-5-fluorophenoxy)methyl]phenyl]methyl]propan-1-amine
CID 81313712
1-fluoro-3-[(4-fluorophenyl)methoxy]-5-methylbenzene
CID 143178239
1-bromo-3-fluoro-5-pentoxybenzene
CID 79015676
1-bromo-3-fluoro-5-[(4-fluorophenoxy)methyl]benzene
CID 79702949
1-bromo-3-(2-ethylsulfanylethoxy)-5-fluorobenzene
CID 115967756
N-[[6-[(3-bromo-5-fluorophenoxy)methyl]-3-pyridinyl]methyl]propan-1-amine
CID 81315335
3-fluoro-5-[(4-fluorophenyl)methoxy]phenol
CID 146557101
1-[4-[(3-bromo-5-fluorophenyl)methoxy]phenyl]butan-2-amine
CID 79700300
1-[2-[(3-bromo-5-fluorophenoxy)methyl]phenyl]-N-methylmethanamine
CID 81325621

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[(4-ethylphenyl)methoxy]-5-fluorobenzene?
The IUPAC name of 1-bromo-3-[(4-ethylphenyl)methoxy]-5-fluorobenzene (CID 81332352) is 1-bromo-3-[(4-ethylphenyl)methoxy]-5-fluorobenzene.
What is the SMILES notation for 1-bromo-3-[(4-ethylphenyl)methoxy]-5-fluorobenzene?
The canonical SMILES for 1-bromo-3-[(4-ethylphenyl)methoxy]-5-fluorobenzene is CCc1ccc(COc2cc(F)cc(Br)c2)cc1.
What is the InChIKey of 1-bromo-3-[(4-ethylphenyl)methoxy]-5-fluorobenzene?
The InChIKey is BHNOQWMKEXRMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFO/c1-2-11-3-5-12(6-4-11)10-18-15-8-13(16)7-14(17)9-15/h3-9H,2,10H2,1H3.
What are the key properties of 1-bromo-3-[(4-ethylphenyl)methoxy]-5-fluorobenzene?
1-bromo-3-[(4-ethylphenyl)methoxy]-5-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-3-[(4-ethylphenyl)methoxy]-5-fluorobenzene is sourced from PubChem (CID 81332352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).