1-bromo-5-fluoro-4-methyl-2-phenylmethoxybenzene

C14H12BrFO — CID 164894745

IUPAC1-bromo-5-fluoro-4-methyl-2-phenylmethoxybenzene
SMILESCc1cc(OCc2ccccc2)c(Br)cc1F
InChIInChI=1S/C14H12BrFO/c1-10-7-14(12(15)8-13(10)16)17-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKeyLUBFLFLFZZEFQA-UHFFFAOYSA-N
MW295.15 g/mol
LogP4.48
Rot. Bonds3

About 1-bromo-5-fluoro-4-methyl-2-phenylmethoxybenzene

1-bromo-5-fluoro-4-methyl-2-phenylmethoxybenzene (PubChem CID 164894745) has the molecular formula C14H12BrFO and a molecular weight of 295.15 g/mol. Its IUPAC name is 1-bromo-5-fluoro-4-methyl-2-phenylmethoxybenzene.

Molecular Properties

Compound Name1-bromo-5-fluoro-4-methyl-2-phenylmethoxybenzene
PubChem CID164894745
Molecular FormulaC14H12BrFO
Molecular Weight295.15 g/mol
Exact Mass294.01
IUPAC Name1-bromo-5-fluoro-4-methyl-2-phenylmethoxybenzene
SMILESCc1cc(OCc2ccccc2)c(Br)cc1F
InChIInChI=1S/C14H12BrFO/c1-10-7-14(12(15)8-13(10)16)17-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKeyLUBFLFLFZZEFQA-UHFFFAOYSA-N
XLogP4.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.15
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-2-methyl-4,5-bis(phenylmethoxy)benzene
CID 135397184
N,N-dibenzyl-5-fluoro-4-methyl-2-phenylmethoxyaniline
CID 167437602
1-bromo-5-[(4-ethylphenyl)methyl]-4-methyl-2-phenylmethoxybenzene
CID 59243503
1-bromo-4-iodo-2-phenylmethoxybenzene
CID 11516618
2,3-difluoro-1-methyl-4-phenylmethoxybenzene
CID 57470603
6-bromo-1,1,4,4-tetramethyl-7-phenylmethoxy-2,3-dihydronaphthalene
CID 22345420
1-bromo-4-(3-methoxypropoxy)-2-methyl-5-phenylmethoxybenzene
CID 135296706
2-bromo-4-tert-butyl-1-phenylmethoxybenzene
CID 15152030
2-bromo-4-methyl-5-phenylmethoxypyridine
CID 166661810
1-fluoro-4-methyl-5-nitro-2-phenylmethoxybenzene
CID 22414647
1-bromo-4-(chloromethyl)-2-fluoro-5-phenylmethoxybenzene
CID 155588527
4-[4-(4-bromophenyl)phenyl]-2-fluoro-1-phenylmethoxybenzene
CID 54061452

Frequently Asked Questions

What is the IUPAC name of 1-bromo-5-fluoro-4-methyl-2-phenylmethoxybenzene?
The IUPAC name of 1-bromo-5-fluoro-4-methyl-2-phenylmethoxybenzene (CID 164894745) is 1-bromo-5-fluoro-4-methyl-2-phenylmethoxybenzene.
What is the SMILES notation for 1-bromo-5-fluoro-4-methyl-2-phenylmethoxybenzene?
The canonical SMILES for 1-bromo-5-fluoro-4-methyl-2-phenylmethoxybenzene is Cc1cc(OCc2ccccc2)c(Br)cc1F.
What is the InChIKey of 1-bromo-5-fluoro-4-methyl-2-phenylmethoxybenzene?
The InChIKey is LUBFLFLFZZEFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFO/c1-10-7-14(12(15)8-13(10)16)17-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3.
What are the key properties of 1-bromo-5-fluoro-4-methyl-2-phenylmethoxybenzene?
1-bromo-5-fluoro-4-methyl-2-phenylmethoxybenzene has a molecular weight of 295.15 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-5-fluoro-4-methyl-2-phenylmethoxybenzene is sourced from PubChem (CID 164894745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).