4-bromo-1,2-bis(phenylmethoxy)benzene

C20H17BrO2 — CID 11280121

IUPAC4-bromo-1,2-bis(phenylmethoxy)benzene
SMILESBrc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1
InChIInChI=1S/C20H17BrO2/c21-18-11-12-19(22-14-16-7-3-1-4-8-16)20(13-18)23-15-17-9-5-2-6-10-17/h1-13H,14-15H2
InChIKeyLBAPEDPREBPULC-UHFFFAOYSA-N
MW369.26 g/mol
LogP5.61
Rot. Bonds6

About 4-bromo-1,2-bis(phenylmethoxy)benzene

4-bromo-1,2-bis(phenylmethoxy)benzene (PubChem CID 11280121) has the molecular formula C20H17BrO2 and a molecular weight of 369.26 g/mol. Its IUPAC name is 4-bromo-1,2-bis(phenylmethoxy)benzene.

Molecular Properties

Compound Name4-bromo-1,2-bis(phenylmethoxy)benzene
PubChem CID11280121
Molecular FormulaC20H17BrO2
Molecular Weight369.26 g/mol
Exact Mass368.04
IUPAC Name4-bromo-1,2-bis(phenylmethoxy)benzene
SMILESBrc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1
InChIInChI=1S/C20H17BrO2/c21-18-11-12-19(22-14-16-7-3-1-4-8-16)20(13-18)23-15-17-9-5-2-6-10-17/h1-13H,14-15H2
InChIKeyLBAPEDPREBPULC-UHFFFAOYSA-N
XLogP5.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.26
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1,2-bis(phenylmethoxy)benzene?
The IUPAC name of 4-bromo-1,2-bis(phenylmethoxy)benzene (CID 11280121) is 4-bromo-1,2-bis(phenylmethoxy)benzene.
What is the SMILES notation for 4-bromo-1,2-bis(phenylmethoxy)benzene?
The canonical SMILES for 4-bromo-1,2-bis(phenylmethoxy)benzene is Brc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1.
What is the InChIKey of 4-bromo-1,2-bis(phenylmethoxy)benzene?
The InChIKey is LBAPEDPREBPULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrO2/c21-18-11-12-19(22-14-16-7-3-1-4-8-16)20(13-18)23-15-17-9-5-2-6-10-17/h1-13H,14-15H2.
What are the key properties of 4-bromo-1,2-bis(phenylmethoxy)benzene?
4-bromo-1,2-bis(phenylmethoxy)benzene has a molecular weight of 369.26 g/mol, XLogP of 5.61, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1,2-bis(phenylmethoxy)benzene is sourced from PubChem (CID 11280121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).