4-(bromomethyl)-2-fluoro-1-(3-methylphenoxy)benzene

C14H12BrFO — CID 107087025

IUPAC4-(bromomethyl)-2-fluoro-1-(3-methylphenoxy)benzene
SMILESCc1cccc(Oc2ccc(CBr)cc2F)c1
InChIInChI=1S/C14H12BrFO/c1-10-3-2-4-12(7-10)17-14-6-5-11(9-15)8-13(14)16/h2-8H,9H2,1H3
InChIKeyCRQOYLLWBUSUTM-UHFFFAOYSA-N
MW295.15 g/mol
LogP4.82
Rot. Bonds3

About 4-(bromomethyl)-2-fluoro-1-(3-methylphenoxy)benzene

4-(bromomethyl)-2-fluoro-1-(3-methylphenoxy)benzene (PubChem CID 107087025) has the molecular formula C14H12BrFO and a molecular weight of 295.15 g/mol. Its IUPAC name is 4-(bromomethyl)-2-fluoro-1-(3-methylphenoxy)benzene.

Molecular Properties

Compound Name4-(bromomethyl)-2-fluoro-1-(3-methylphenoxy)benzene
PubChem CID107087025
Molecular FormulaC14H12BrFO
Molecular Weight295.15 g/mol
Exact Mass294.01
IUPAC Name4-(bromomethyl)-2-fluoro-1-(3-methylphenoxy)benzene
SMILESCc1cccc(Oc2ccc(CBr)cc2F)c1
InChIInChI=1S/C14H12BrFO/c1-10-3-2-4-12(7-10)17-14-6-5-11(9-15)8-13(14)16/h2-8H,9H2,1H3
InChIKeyCRQOYLLWBUSUTM-UHFFFAOYSA-N
XLogP4.82
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 ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[4-(bromomethyl)-2-fluorophenoxy]-3,5-dimethylbenzene
CID 107087006
2-[3-fluoro-4-(3-methylphenoxy)phenyl]ethanamine
CID 63802270
1-bromo-4-[4-(bromomethyl)-2-fluorophenoxy]-2-methylbenzene
CID 107089080
4-(bromomethyl)-2-fluoro-1-(4-methoxyphenoxy)benzene
CID 107087234
1-[4-(bromomethyl)-2-fluorophenoxy]-3,5-dimethoxybenzene
CID 107087773
4-(bromomethyl)-1-(4-bromophenoxy)-2-fluorobenzene
CID 107086895
4-(bromomethyl)-2-fluoro-1-(2-methoxyphenoxy)benzene
CID 107087181
2-fluoro-1-methoxy-4-[(3-methylphenoxy)methyl]benzene
CID 60627922
4-(bromomethyl)-1-(4-butylphenoxy)-2-fluorobenzene
CID 107089012
4-(bromomethyl)-2-fluoro-1-[4-(2-methoxyethyl)phenoxy]benzene
CID 107087633
1-[3-fluoro-4-(3-methylphenoxy)phenyl]ethanamine
CID 43189188
1-[4-(bromomethyl)-2-fluorophenoxy]-4-chloro-2-methylbenzene
CID 107087281

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-2-fluoro-1-(3-methylphenoxy)benzene?
The IUPAC name of 4-(bromomethyl)-2-fluoro-1-(3-methylphenoxy)benzene (CID 107087025) is 4-(bromomethyl)-2-fluoro-1-(3-methylphenoxy)benzene.
What is the SMILES notation for 4-(bromomethyl)-2-fluoro-1-(3-methylphenoxy)benzene?
The canonical SMILES for 4-(bromomethyl)-2-fluoro-1-(3-methylphenoxy)benzene is Cc1cccc(Oc2ccc(CBr)cc2F)c1.
What is the InChIKey of 4-(bromomethyl)-2-fluoro-1-(3-methylphenoxy)benzene?
The InChIKey is CRQOYLLWBUSUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFO/c1-10-3-2-4-12(7-10)17-14-6-5-11(9-15)8-13(14)16/h2-8H,9H2,1H3.
What are the key properties of 4-(bromomethyl)-2-fluoro-1-(3-methylphenoxy)benzene?
4-(bromomethyl)-2-fluoro-1-(3-methylphenoxy)benzene has a molecular weight of 295.15 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-2-fluoro-1-(3-methylphenoxy)benzene is sourced from PubChem (CID 107087025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).