2-bromo-1-fluoro-4-phenylmethoxybenzene

C13H10BrFO — CID 20785494

IUPAC2-bromo-1-fluoro-4-phenylmethoxybenzene
SMILESFc1ccc(OCc2ccccc2)cc1Br
InChIInChI=1S/C13H10BrFO/c14-12-8-11(6-7-13(12)15)16-9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyLHZJBWNQSNHEIO-UHFFFAOYSA-N
MW281.12 g/mol
LogP4.17
Rot. Bonds3

About 2-bromo-1-fluoro-4-phenylmethoxybenzene

2-bromo-1-fluoro-4-phenylmethoxybenzene (PubChem CID 20785494) has the molecular formula C13H10BrFO and a molecular weight of 281.12 g/mol. Its IUPAC name is 2-bromo-1-fluoro-4-phenylmethoxybenzene.

Molecular Properties

Compound Name2-bromo-1-fluoro-4-phenylmethoxybenzene
PubChem CID20785494
Molecular FormulaC13H10BrFO
Molecular Weight281.12 g/mol
Exact Mass279.99
IUPAC Name2-bromo-1-fluoro-4-phenylmethoxybenzene
SMILESFc1ccc(OCc2ccccc2)cc1Br
InChIInChI=1S/C13H10BrFO/c14-12-8-11(6-7-13(12)15)16-9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyLHZJBWNQSNHEIO-UHFFFAOYSA-N
XLogP4.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.12
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(Bromomethyl)-3-phenoxybenzene
CID 94544
Benzyl Phenyl Ether
CID 70352
1-(Benzyloxy)-3-bromobenzene
CID 2756638
3-Bromodiphenyl ether
CID 96165
1-Bromo-4-phenylmethoxybenzene
CID 138835
1-Fluoro-4-[(4-iodophenyl)methoxy]benzene
CID 19106793
1-Bromo-4-[(4-iodophenyl)methoxy]benzene
CID 65479031
1-Bromo-3-[(4-fluorophenyl)methoxy]benzene
CID 2758970
ST51042142
CID 2760895
1-Bromo-4-(phenoxymethyl)benzene
CID 726149
3-[(m-Bromophenyl)methoxy]bromobenzene
CID 22601752
5-[(4-Bromo-2,6-difluorophenyl)difluoromethoxy]-1,2,3-trifluorobenzene
CID 21049705

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-fluoro-4-phenylmethoxybenzene?
The IUPAC name of 2-bromo-1-fluoro-4-phenylmethoxybenzene (CID 20785494) is 2-bromo-1-fluoro-4-phenylmethoxybenzene.
What is the SMILES notation for 2-bromo-1-fluoro-4-phenylmethoxybenzene?
The canonical SMILES for 2-bromo-1-fluoro-4-phenylmethoxybenzene is Fc1ccc(OCc2ccccc2)cc1Br.
What is the InChIKey of 2-bromo-1-fluoro-4-phenylmethoxybenzene?
The InChIKey is LHZJBWNQSNHEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFO/c14-12-8-11(6-7-13(12)15)16-9-10-4-2-1-3-5-10/h1-8H,9H2.
What are the key properties of 2-bromo-1-fluoro-4-phenylmethoxybenzene?
2-bromo-1-fluoro-4-phenylmethoxybenzene has a molecular weight of 281.12 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-fluoro-4-phenylmethoxybenzene is sourced from PubChem (CID 20785494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).