4-[[2-(bromomethyl)-6-fluorophenoxy]methyl]-3,4-dihydro-2H-chromene

C17H16BrFO2 — CID 104768805

IUPAC4-[[2-(bromomethyl)-6-fluorophenoxy]methyl]-3,4-dihydro-2H-chromene
SMILESFc1cccc(CBr)c1OCC1CCOc2ccccc21
InChIInChI=1S/C17H16BrFO2/c18-10-12-4-3-6-15(19)17(12)21-11-13-8-9-20-16-7-2-1-5-14(13)16/h1-7,13H,8-11H2
InChIKeyIJROWOFPQTYHTM-UHFFFAOYSA-N
MW351.22 g/mol
LogP4.67
Rot. Bonds4

About 4-[[2-(bromomethyl)-6-fluorophenoxy]methyl]-3,4-dihydro-2H-chromene

4-[[2-(bromomethyl)-6-fluorophenoxy]methyl]-3,4-dihydro-2H-chromene (PubChem CID 104768805) has the molecular formula C17H16BrFO2 and a molecular weight of 351.22 g/mol. Its IUPAC name is 4-[[2-(bromomethyl)-6-fluorophenoxy]methyl]-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name4-[[2-(bromomethyl)-6-fluorophenoxy]methyl]-3,4-dihydro-2H-chromene
PubChem CID104768805
Molecular FormulaC17H16BrFO2
Molecular Weight351.22 g/mol
Exact Mass350.03
IUPAC Name4-[[2-(bromomethyl)-6-fluorophenoxy]methyl]-3,4-dihydro-2H-chromene
SMILESFc1cccc(CBr)c1OCC1CCOc2ccccc21
InChIInChI=1S/C17H16BrFO2/c18-10-12-4-3-6-15(19)17(12)21-11-13-8-9-20-16-7-2-1-5-14(13)16/h1-7,13H,8-11H2
InChIKeyIJROWOFPQTYHTM-UHFFFAOYSA-N
XLogP4.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.22
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-3,4-dihydro-2H-chromene
CID 104768778
4-[[3-(bromomethyl)phenoxy]methyl]-3,4-dihydro-2H-chromene
CID 104768779
4-[(4-fluorophenoxy)methyl]-3,4-dihydro-2H-chromene
CID 104771987
4-[(2-iodophenoxy)methyl]-3,4-dihydro-2H-chromene
CID 113451150
2-[[2-(bromomethyl)-6-fluorophenoxy]methyl]oxane
CID 112614015
4-[(3-fluoro-4-methylphenoxy)methyl]-3,4-dihydro-2H-chromene
CID 107171423
2-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenol
CID 104768812
[4-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenyl]methanamine
CID 104768013
4-[(2-propan-2-ylphenoxy)methyl]-3,4-dihydro-2H-chromene
CID 104771996
ethane;4-ethyl-3,4-dihydro-2H-chromene
CID 169111717
[2-(3,4-dihydro-2H-chromen-4-ylmethoxy)-5-fluorophenyl]methanol
CID 107698362
3-(3,4-dihydro-2H-chromen-4-ylmethoxy)aniline
CID 104768037

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(bromomethyl)-6-fluorophenoxy]methyl]-3,4-dihydro-2H-chromene?
The IUPAC name of 4-[[2-(bromomethyl)-6-fluorophenoxy]methyl]-3,4-dihydro-2H-chromene (CID 104768805) is 4-[[2-(bromomethyl)-6-fluorophenoxy]methyl]-3,4-dihydro-2H-chromene.
What is the SMILES notation for 4-[[2-(bromomethyl)-6-fluorophenoxy]methyl]-3,4-dihydro-2H-chromene?
The canonical SMILES for 4-[[2-(bromomethyl)-6-fluorophenoxy]methyl]-3,4-dihydro-2H-chromene is Fc1cccc(CBr)c1OCC1CCOc2ccccc21.
What is the InChIKey of 4-[[2-(bromomethyl)-6-fluorophenoxy]methyl]-3,4-dihydro-2H-chromene?
The InChIKey is IJROWOFPQTYHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrFO2/c18-10-12-4-3-6-15(19)17(12)21-11-13-8-9-20-16-7-2-1-5-14(13)16/h1-7,13H,8-11H2.
What are the key properties of 4-[[2-(bromomethyl)-6-fluorophenoxy]methyl]-3,4-dihydro-2H-chromene?
4-[[2-(bromomethyl)-6-fluorophenoxy]methyl]-3,4-dihydro-2H-chromene has a molecular weight of 351.22 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(bromomethyl)-6-fluorophenoxy]methyl]-3,4-dihydro-2H-chromene is sourced from PubChem (CID 104768805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).