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

C14H11BrClFO — CID 112613744

IUPAC1-(bromomethyl)-3-chloro-2-[(3-fluorophenyl)methoxy]benzene
SMILESFc1cccc(COc2c(Cl)cccc2CBr)c1
InChIInChI=1S/C14H11BrClFO/c15-8-11-4-2-6-13(16)14(11)18-9-10-3-1-5-12(17)7-10/h1-7H,8-9H2
InChIKeyZGJMWPFXCBRLHQ-UHFFFAOYSA-N
MW329.60 g/mol
LogP4.95
Rot. Bonds4

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

1-(bromomethyl)-3-chloro-2-[(3-fluorophenyl)methoxy]benzene (PubChem CID 112613744) has the molecular formula C14H11BrClFO and a molecular weight of 329.60 g/mol. Its IUPAC name is 1-(bromomethyl)-3-chloro-2-[(3-fluorophenyl)methoxy]benzene.

Molecular Properties

Compound Name1-(bromomethyl)-3-chloro-2-[(3-fluorophenyl)methoxy]benzene
PubChem CID112613744
Molecular FormulaC14H11BrClFO
Molecular Weight329.60 g/mol
Exact Mass327.97
IUPAC Name1-(bromomethyl)-3-chloro-2-[(3-fluorophenyl)methoxy]benzene
SMILESFc1cccc(COc2c(Cl)cccc2CBr)c1
InChIInChI=1S/C14H11BrClFO/c15-8-11-4-2-6-13(16)14(11)18-9-10-3-1-5-12(17)7-10/h1-7H,8-9H2
InChIKeyZGJMWPFXCBRLHQ-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

1-bromo-3-(bromomethyl)-2-[(3-fluorophenyl)methoxy]benzene
CID 63536395
N-[[3-chloro-2-[(3-fluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 115952940
1-(bromomethyl)-3-chloro-2-[(4-ethylphenyl)methoxy]benzene
CID 112613813
1-(bromomethyl)-2-[(3-fluorophenyl)methoxy]benzene
CID 43141601
1-(bromomethyl)-3-chloro-2-[(4-methoxyphenyl)methoxy]benzene
CID 112613844
1-bromo-3-(bromomethyl)-2-[(4-chloro-3-fluorophenyl)methoxy]benzene
CID 107882612
5-bromo-1-(bromomethyl)-2-[(3-fluorophenyl)methoxy]-3-methylbenzene
CID 112621396
[3-bromo-5-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methanol
CID 91686030
[3,5-dichloro-4-[(3-fluorophenyl)methoxy]phenyl]methanol
CID 893858
1-(bromomethyl)-2-[(2-chloro-4-fluorophenyl)methoxy]-3-fluorobenzene
CID 112614047
2-[[2-(bromomethyl)-6-chlorophenoxy]methyl]pyrimidine
CID 112613819
1-(bromomethyl)-3-chloro-2-(2-chloro-4-fluorophenoxy)benzene
CID 114068008

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-3-chloro-2-[(3-fluorophenyl)methoxy]benzene?
The IUPAC name of 1-(bromomethyl)-3-chloro-2-[(3-fluorophenyl)methoxy]benzene (CID 112613744) is 1-(bromomethyl)-3-chloro-2-[(3-fluorophenyl)methoxy]benzene.
What is the SMILES notation for 1-(bromomethyl)-3-chloro-2-[(3-fluorophenyl)methoxy]benzene?
The canonical SMILES for 1-(bromomethyl)-3-chloro-2-[(3-fluorophenyl)methoxy]benzene is Fc1cccc(COc2c(Cl)cccc2CBr)c1.
What is the InChIKey of 1-(bromomethyl)-3-chloro-2-[(3-fluorophenyl)methoxy]benzene?
The InChIKey is ZGJMWPFXCBRLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClFO/c15-8-11-4-2-6-13(16)14(11)18-9-10-3-1-5-12(17)7-10/h1-7H,8-9H2.
What are the key properties of 1-(bromomethyl)-3-chloro-2-[(3-fluorophenyl)methoxy]benzene?
1-(bromomethyl)-3-chloro-2-[(3-fluorophenyl)methoxy]benzene 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-(bromomethyl)-3-chloro-2-[(3-fluorophenyl)methoxy]benzene is sourced from PubChem (CID 112613744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).