1-(bromomethyl)-2-[(3-fluorophenyl)methoxy]benzene

C14H12BrFO — CID 43141601

IUPAC1-(bromomethyl)-2-[(3-fluorophenyl)methoxy]benzene
SMILESFc1cccc(COc2ccccc2CBr)c1
InChIInChI=1S/C14H12BrFO/c15-9-12-5-1-2-7-14(12)17-10-11-4-3-6-13(16)8-11/h1-8H,9-10H2
InChIKeyCZXZXEFHWKZYQB-UHFFFAOYSA-N
MW295.15 g/mol
LogP4.30
Rot. Bonds4

About 1-(bromomethyl)-2-[(3-fluorophenyl)methoxy]benzene

1-(bromomethyl)-2-[(3-fluorophenyl)methoxy]benzene (PubChem CID 43141601) has the molecular formula C14H12BrFO and a molecular weight of 295.15 g/mol. Its IUPAC name is 1-(bromomethyl)-2-[(3-fluorophenyl)methoxy]benzene.

Molecular Properties

Compound Name1-(bromomethyl)-2-[(3-fluorophenyl)methoxy]benzene
PubChem CID43141601
Molecular FormulaC14H12BrFO
Molecular Weight295.15 g/mol
Exact Mass294.01
IUPAC Name1-(bromomethyl)-2-[(3-fluorophenyl)methoxy]benzene
SMILESFc1cccc(COc2ccccc2CBr)c1
InChIInChI=1S/C14H12BrFO/c15-9-12-5-1-2-7-14(12)17-10-11-4-3-6-13(16)8-11/h1-8H,9-10H2
InChIKeyCZXZXEFHWKZYQB-UHFFFAOYSA-N
XLogP4.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.15
LogP ≤ 54.30
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-fluoro-3-[[2-[(3-fluorophenyl)methyl]phenoxy]methyl]benzene
CID 141193012
2-(bromomethyl)-4-fluoro-1-phenylmethoxybenzene
CID 90051014
4-[[2-(bromomethyl)phenoxy]methyl]-1,2-difluorobenzene
CID 82919067
1-[[2-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-phenylhydrazine
CID 169385379
1-bromo-3-(bromomethyl)-2-[(3-fluorophenyl)methoxy]benzene
CID 63536395
1-(bromomethyl)-3-chloro-2-[(3-fluorophenyl)methoxy]benzene
CID 112613744
2-(bromomethyl)-4-fluoro-1-[(4-fluorophenyl)methoxy]benzene
CID 89437019
1-bromo-4-[[2-(bromomethyl)phenoxy]methyl]benzene
CID 43141593
ethyl 2-amino-3-[2-[(3-fluorophenyl)methoxy]phenyl]propanoate
CID 170885850
1-[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]propan-2-amine
CID 60908017
5-bromo-1-(bromomethyl)-2-[(3-fluorophenyl)methoxy]-3-methylbenzene
CID 112621396
1-[2-[(3-bromo-5-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 79709715

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-2-[(3-fluorophenyl)methoxy]benzene?
The IUPAC name of 1-(bromomethyl)-2-[(3-fluorophenyl)methoxy]benzene (CID 43141601) is 1-(bromomethyl)-2-[(3-fluorophenyl)methoxy]benzene.
What is the SMILES notation for 1-(bromomethyl)-2-[(3-fluorophenyl)methoxy]benzene?
The canonical SMILES for 1-(bromomethyl)-2-[(3-fluorophenyl)methoxy]benzene is Fc1cccc(COc2ccccc2CBr)c1.
What is the InChIKey of 1-(bromomethyl)-2-[(3-fluorophenyl)methoxy]benzene?
The InChIKey is CZXZXEFHWKZYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFO/c15-9-12-5-1-2-7-14(12)17-10-11-4-3-6-13(16)8-11/h1-8H,9-10H2.
What are the key properties of 1-(bromomethyl)-2-[(3-fluorophenyl)methoxy]benzene?
1-(bromomethyl)-2-[(3-fluorophenyl)methoxy]benzene has a molecular weight of 295.15 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-2-[(3-fluorophenyl)methoxy]benzene is sourced from PubChem (CID 43141601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).