1-(2-bromo-4-propylphenoxy)-2,4-difluorobenzene

C15H13BrF2O — CID 159889013

IUPAC1-(2-bromo-4-propylphenoxy)-2,4-difluorobenzene
SMILESCCCc1ccc(Oc2ccc(F)cc2F)c(Br)c1
InChIInChI=1S/C15H13BrF2O/c1-2-3-10-4-6-14(12(16)8-10)19-15-7-5-11(17)9-13(15)18/h4-9H,2-3H2,1H3
InChIKeyCKGYFWXFBMCQPE-UHFFFAOYSA-N
MW327.17 g/mol
LogP5.47
Rot. Bonds4

About 1-(2-bromo-4-propylphenoxy)-2,4-difluorobenzene

1-(2-bromo-4-propylphenoxy)-2,4-difluorobenzene (PubChem CID 159889013) has the molecular formula C15H13BrF2O and a molecular weight of 327.17 g/mol. Its IUPAC name is 1-(2-bromo-4-propylphenoxy)-2,4-difluorobenzene.

Molecular Properties

Compound Name1-(2-bromo-4-propylphenoxy)-2,4-difluorobenzene
PubChem CID159889013
Molecular FormulaC15H13BrF2O
Molecular Weight327.17 g/mol
Exact Mass326.01
IUPAC Name1-(2-bromo-4-propylphenoxy)-2,4-difluorobenzene
SMILESCCCc1ccc(Oc2ccc(F)cc2F)c(Br)c1
InChIInChI=1S/C15H13BrF2O/c1-2-3-10-4-6-14(12(16)8-10)19-15-7-5-11(17)9-13(15)18/h4-9H,2-3H2,1H3
InChIKeyCKGYFWXFBMCQPE-UHFFFAOYSA-N
XLogP5.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.17
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(2-bromo-4-fluorophenoxy)-3-fluorophenyl]butan-2-amine
CID 63816803
2-bromo-1-[2-bromo-4-(chloromethyl)phenoxy]-4-fluorobenzene
CID 114062604
2-bromo-4-(chloromethyl)-1-(2,5-difluorophenoxy)benzene
CID 114062638
2-[4-(2-bromo-4-fluorophenoxy)-3-chlorophenyl]ethanamine
CID 81166401
1-(4-ethylphenoxy)-2,4-difluorobenzene
CID 70811757
1-(2-bromo-4-methylsulfonylphenoxy)-2,4-difluorobenzene
CID 118022172
2-bromo-1-(2,4-difluorophenoxy)-4-[(1S)-1-ethylsulfonylethyl]benzene
CID 124677431
3-bromo-4-(2,4-difluorophenoxy)benzonitrile
CID 82798545
(2,4-difluorophenyl) 4-propylbenzoate
CID 23391163
[4-(2,4-dibromophenoxy)-3-fluorophenyl]methanol
CID 64720660
5-bromo-2-(2,4-difluorophenoxy)-4-fluoroaniline
CID 66110764
1-[5-bromo-2-(bromomethyl)phenoxy]-2,4-difluorobenzene
CID 107086532

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-propylphenoxy)-2,4-difluorobenzene?
The IUPAC name of 1-(2-bromo-4-propylphenoxy)-2,4-difluorobenzene (CID 159889013) is 1-(2-bromo-4-propylphenoxy)-2,4-difluorobenzene.
What is the SMILES notation for 1-(2-bromo-4-propylphenoxy)-2,4-difluorobenzene?
The canonical SMILES for 1-(2-bromo-4-propylphenoxy)-2,4-difluorobenzene is CCCc1ccc(Oc2ccc(F)cc2F)c(Br)c1.
What is the InChIKey of 1-(2-bromo-4-propylphenoxy)-2,4-difluorobenzene?
The InChIKey is CKGYFWXFBMCQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF2O/c1-2-3-10-4-6-14(12(16)8-10)19-15-7-5-11(17)9-13(15)18/h4-9H,2-3H2,1H3.
What are the key properties of 1-(2-bromo-4-propylphenoxy)-2,4-difluorobenzene?
1-(2-bromo-4-propylphenoxy)-2,4-difluorobenzene has a molecular weight of 327.17 g/mol, XLogP of 5.47, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-propylphenoxy)-2,4-difluorobenzene is sourced from PubChem (CID 159889013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).