1-[[4-(bromomethyl)phenoxy]methyl]-2-chloro-4-fluorobenzene

C14H11BrClFO — CID 43141547

IUPAC1-[[4-(bromomethyl)phenoxy]methyl]-2-chloro-4-fluorobenzene
SMILESFc1ccc(COc2ccc(CBr)cc2)c(Cl)c1
InChIInChI=1S/C14H11BrClFO/c15-8-10-1-5-13(6-2-10)18-9-11-3-4-12(17)7-14(11)16/h1-7H,8-9H2
InChIKeyIKOJPJGFIQJVLY-UHFFFAOYSA-N
MW329.60 g/mol
LogP4.95
Rot. Bonds4

About 1-[[4-(bromomethyl)phenoxy]methyl]-2-chloro-4-fluorobenzene

1-[[4-(bromomethyl)phenoxy]methyl]-2-chloro-4-fluorobenzene (PubChem CID 43141547) has the molecular formula C14H11BrClFO and a molecular weight of 329.60 g/mol. Its IUPAC name is 1-[[4-(bromomethyl)phenoxy]methyl]-2-chloro-4-fluorobenzene.

Molecular Properties

Compound Name1-[[4-(bromomethyl)phenoxy]methyl]-2-chloro-4-fluorobenzene
PubChem CID43141547
Molecular FormulaC14H11BrClFO
Molecular Weight329.60 g/mol
Exact Mass327.97
IUPAC Name1-[[4-(bromomethyl)phenoxy]methyl]-2-chloro-4-fluorobenzene
SMILESFc1ccc(COc2ccc(CBr)cc2)c(Cl)c1
InChIInChI=1S/C14H11BrClFO/c15-8-10-1-5-13(6-2-10)18-9-11-3-4-12(17)7-14(11)16/h1-7H,8-9H2
InChIKeyIKOJPJGFIQJVLY-UHFFFAOYSA-N
XLogP4.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.60
LogP ≤ 54.95
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

2-chloro-1-[(4-ethylphenoxy)methyl]-4-fluorobenzene
CID 60627358
2-chloro-4-fluoro-1-[(4-methoxyphenoxy)methyl]benzene
CID 112788881
1-[[4-(bromomethyl)-2-fluorophenoxy]methyl]-2-chloro-4-fluorobenzene
CID 107691509
5-(bromomethyl)-2-[(2-chloro-4-fluorophenyl)methoxy]-1,3-difluorobenzene
CID 79888589
2-bromo-5-[(2-chloro-4-fluorophenyl)methoxy]pyridine
CID 103695197
(2R)-1-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 51996850
1-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]-2-phenylhydrazine
CID 169385678
1-[4-(bromomethyl)phenoxy]-2-chloro-4-fluorobenzene
CID 107087882
1-chloro-2-[(4-ethylphenoxy)methyl]-4-fluorobenzene
CID 102620565
1-[3-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]propyl]-4-methylpiperazine
CID 170863695
2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]benzonitrile
CID 102724027
1-(bromomethyl)-2-[(2-chloro-4-fluorophenyl)methoxy]-3-fluorobenzene
CID 112614047

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(bromomethyl)phenoxy]methyl]-2-chloro-4-fluorobenzene?
The IUPAC name of 1-[[4-(bromomethyl)phenoxy]methyl]-2-chloro-4-fluorobenzene (CID 43141547) is 1-[[4-(bromomethyl)phenoxy]methyl]-2-chloro-4-fluorobenzene.
What is the SMILES notation for 1-[[4-(bromomethyl)phenoxy]methyl]-2-chloro-4-fluorobenzene?
The canonical SMILES for 1-[[4-(bromomethyl)phenoxy]methyl]-2-chloro-4-fluorobenzene is Fc1ccc(COc2ccc(CBr)cc2)c(Cl)c1.
What is the InChIKey of 1-[[4-(bromomethyl)phenoxy]methyl]-2-chloro-4-fluorobenzene?
The InChIKey is IKOJPJGFIQJVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClFO/c15-8-10-1-5-13(6-2-10)18-9-11-3-4-12(17)7-14(11)16/h1-7H,8-9H2.
What are the key properties of 1-[[4-(bromomethyl)phenoxy]methyl]-2-chloro-4-fluorobenzene?
1-[[4-(bromomethyl)phenoxy]methyl]-2-chloro-4-fluorobenzene has a molecular weight of 329.60 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(bromomethyl)phenoxy]methyl]-2-chloro-4-fluorobenzene is sourced from PubChem (CID 43141547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).