4-(bromomethyl)-2-fluoro-1-(phenylmethoxymethoxy)benzene

C15H14BrFO2 — CID 107691820

IUPAC4-(bromomethyl)-2-fluoro-1-(phenylmethoxymethoxy)benzene
SMILESFc1cc(CBr)ccc1OCOCc1ccccc1
InChIInChI=1S/C15H14BrFO2/c16-9-13-6-7-15(14(17)8-13)19-11-18-10-12-4-2-1-3-5-12/h1-8H,9-11H2
InChIKeyFNRRPLGMXMXYRF-UHFFFAOYSA-N
MW325.18 g/mol
LogP4.27
Rot. Bonds6

About 4-(bromomethyl)-2-fluoro-1-(phenylmethoxymethoxy)benzene

4-(bromomethyl)-2-fluoro-1-(phenylmethoxymethoxy)benzene (PubChem CID 107691820) has the molecular formula C15H14BrFO2 and a molecular weight of 325.18 g/mol. Its IUPAC name is 4-(bromomethyl)-2-fluoro-1-(phenylmethoxymethoxy)benzene.

Molecular Properties

Compound Name4-(bromomethyl)-2-fluoro-1-(phenylmethoxymethoxy)benzene
PubChem CID107691820
Molecular FormulaC15H14BrFO2
Molecular Weight325.18 g/mol
Exact Mass324.02
IUPAC Name4-(bromomethyl)-2-fluoro-1-(phenylmethoxymethoxy)benzene
SMILESFc1cc(CBr)ccc1OCOCc1ccccc1
InChIInChI=1S/C15H14BrFO2/c16-9-13-6-7-15(14(17)8-13)19-11-18-10-12-4-2-1-3-5-12/h1-8H,9-11H2
InChIKeyFNRRPLGMXMXYRF-UHFFFAOYSA-N
XLogP4.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.18
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

5-(bromomethyl)-1,3-difluoro-2-(phenylmethoxymethoxy)benzene
CID 102939947
4-(bromomethyl)-2-fluoro-1-[(4-fluorophenyl)methoxy]benzene
CID 107691588
5-fluoro-2-methyl-4-(phenylmethoxymethoxy)aniline
CID 102939333
2-(bromomethyl)-4-methyl-1-(phenylmethoxymethoxy)benzene
CID 102939941
3-[[4-(bromomethyl)-2-fluorophenoxy]methyl]benzonitrile
CID 107691629
5-fluoro-2-(phenylmethoxymethoxy)aniline
CID 102939313
4-(bromomethyl)-2-fluoro-1-[(4-methoxyphenyl)methoxy]benzene
CID 107691631
5-(bromomethyl)-1,3-difluoro-2-phenylmethoxybenzene
CID 79888121
4-(bromomethyl)-2-fluoro-1-prop-2-enoxybenzene
CID 67198367
1-(3-fluoro-4-phenylmethoxyphenyl)-N-methoxymethanamine
CID 117407186
4-(bromomethyl)-1-iodo-2-phenylmethoxybenzene
CID 73333847
2-fluoro-3-(phenylmethoxymethoxy)pyridine
CID 102941131

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-2-fluoro-1-(phenylmethoxymethoxy)benzene?
The IUPAC name of 4-(bromomethyl)-2-fluoro-1-(phenylmethoxymethoxy)benzene (CID 107691820) is 4-(bromomethyl)-2-fluoro-1-(phenylmethoxymethoxy)benzene.
What is the SMILES notation for 4-(bromomethyl)-2-fluoro-1-(phenylmethoxymethoxy)benzene?
The canonical SMILES for 4-(bromomethyl)-2-fluoro-1-(phenylmethoxymethoxy)benzene is Fc1cc(CBr)ccc1OCOCc1ccccc1.
What is the InChIKey of 4-(bromomethyl)-2-fluoro-1-(phenylmethoxymethoxy)benzene?
The InChIKey is FNRRPLGMXMXYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFO2/c16-9-13-6-7-15(14(17)8-13)19-11-18-10-12-4-2-1-3-5-12/h1-8H,9-11H2.
What are the key properties of 4-(bromomethyl)-2-fluoro-1-(phenylmethoxymethoxy)benzene?
4-(bromomethyl)-2-fluoro-1-(phenylmethoxymethoxy)benzene has a molecular weight of 325.18 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-2-fluoro-1-(phenylmethoxymethoxy)benzene is sourced from PubChem (CID 107691820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).