1-(bromomethyl)-2-[[2-(bromomethyl)phenoxy]-methylphosphoryl]oxybenzene

C15H15Br2O3P — CID 174422888

IUPAC1-(bromomethyl)-2-[[2-(bromomethyl)phenoxy]-methylphosphoryl]oxybenzene
SMILESCP(=O)(Oc1ccccc1CBr)Oc1ccccc1CBr
InChIInChI=1S/C15H15Br2O3P/c1-21(18,19-14-8-4-2-6-12(14)10-16)20-15-9-5-3-7-13(15)11-17/h2-9H,10-11H2,1H3
InChIKeyOVLHLRYFWWYUDS-UHFFFAOYSA-N
MW434.06 g/mol
LogP5.76
Rot. Bonds6

About 1-(bromomethyl)-2-[[2-(bromomethyl)phenoxy]-methylphosphoryl]oxybenzene

1-(bromomethyl)-2-[[2-(bromomethyl)phenoxy]-methylphosphoryl]oxybenzene (PubChem CID 174422888) has the molecular formula C15H15Br2O3P and a molecular weight of 434.06 g/mol. Its IUPAC name is 1-(bromomethyl)-2-[[2-(bromomethyl)phenoxy]-methylphosphoryl]oxybenzene.

Molecular Properties

Compound Name1-(bromomethyl)-2-[[2-(bromomethyl)phenoxy]-methylphosphoryl]oxybenzene
PubChem CID174422888
Molecular FormulaC15H15Br2O3P
Molecular Weight434.06 g/mol
Exact Mass431.91
IUPAC Name1-(bromomethyl)-2-[[2-(bromomethyl)phenoxy]-methylphosphoryl]oxybenzene
SMILESCP(=O)(Oc1ccccc1CBr)Oc1ccccc1CBr
InChIInChI=1S/C15H15Br2O3P/c1-21(18,19-14-8-4-2-6-12(14)10-16)20-15-9-5-3-7-13(15)11-17/h2-9H,10-11H2,1H3
InChIKeyOVLHLRYFWWYUDS-UHFFFAOYSA-N
XLogP5.76
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.06
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[methyl-(2-prop-2-enylphenoxy)phosphoryl]oxy-2-prop-2-enylbenzene
CID 87155986
1-(bromomethyl)-2-[2-(bromomethyl)phenoxy]benzene;ethane
CID 91089449
[2-(bromomethyl)phenyl] methyl carbonate
CID 122649168
1-ethyl-2-[ethyl-(2-ethylphenoxy)phosphoryl]oxybenzene
CID 87155659
1-(bromomethyl)-2-propoxybenzene
CID 43141572
[2-(bromomethyl)phenyl] 3-phenylprop-2-enoate
CID 72974963
1-(bromomethyl)-2-(3-methylbutoxy)benzene
CID 43141565
tris[2-(fluoromethyl)phenyl] phosphate
CID 68622046
1-(bromomethyl)-2-dodecoxybenzene
CID 63534495
bis(2-ethylphenoxy)-methylidene-phenyl-λ5-phosphane
CID 87668436
1-(bromomethyl)-2-(3,3,3-trifluoropropoxy)benzene
CID 64567747
1-(bromomethyl)-2-pentan-2-yloxybenzene
CID 107896126

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-2-[[2-(bromomethyl)phenoxy]-methylphosphoryl]oxybenzene?
The IUPAC name of 1-(bromomethyl)-2-[[2-(bromomethyl)phenoxy]-methylphosphoryl]oxybenzene (CID 174422888) is 1-(bromomethyl)-2-[[2-(bromomethyl)phenoxy]-methylphosphoryl]oxybenzene.
What is the SMILES notation for 1-(bromomethyl)-2-[[2-(bromomethyl)phenoxy]-methylphosphoryl]oxybenzene?
The canonical SMILES for 1-(bromomethyl)-2-[[2-(bromomethyl)phenoxy]-methylphosphoryl]oxybenzene is CP(=O)(Oc1ccccc1CBr)Oc1ccccc1CBr.
What is the InChIKey of 1-(bromomethyl)-2-[[2-(bromomethyl)phenoxy]-methylphosphoryl]oxybenzene?
The InChIKey is OVLHLRYFWWYUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2O3P/c1-21(18,19-14-8-4-2-6-12(14)10-16)20-15-9-5-3-7-13(15)11-17/h2-9H,10-11H2,1H3.
What are the key properties of 1-(bromomethyl)-2-[[2-(bromomethyl)phenoxy]-methylphosphoryl]oxybenzene?
1-(bromomethyl)-2-[[2-(bromomethyl)phenoxy]-methylphosphoryl]oxybenzene has a molecular weight of 434.06 g/mol, XLogP of 5.76, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-2-[[2-(bromomethyl)phenoxy]-methylphosphoryl]oxybenzene is sourced from PubChem (CID 174422888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).