1-bromo-3,5-bis(phenylmethoxy)benzene

C20H17BrO2 — CID 11143141

IUPAC1-bromo-3,5-bis(phenylmethoxy)benzene
SMILESBrc1cc(OCc2ccccc2)cc(OCc2ccccc2)c1
InChIInChI=1S/C20H17BrO2/c21-18-11-19(22-14-16-7-3-1-4-8-16)13-20(12-18)23-15-17-9-5-2-6-10-17/h1-13H,14-15H2
InChIKeyZVDWFQPJADEFJA-UHFFFAOYSA-N
MW369.26 g/mol
LogP5.61
Rot. Bonds6

About 1-bromo-3,5-bis(phenylmethoxy)benzene

1-bromo-3,5-bis(phenylmethoxy)benzene (PubChem CID 11143141) has the molecular formula C20H17BrO2 and a molecular weight of 369.26 g/mol. Its IUPAC name is 1-bromo-3,5-bis(phenylmethoxy)benzene.

Molecular Properties

Compound Name1-bromo-3,5-bis(phenylmethoxy)benzene
PubChem CID11143141
Molecular FormulaC20H17BrO2
Molecular Weight369.26 g/mol
Exact Mass368.04
IUPAC Name1-bromo-3,5-bis(phenylmethoxy)benzene
SMILESBrc1cc(OCc2ccccc2)cc(OCc2ccccc2)c1
InChIInChI=1S/C20H17BrO2/c21-18-11-19(22-14-16-7-3-1-4-8-16)13-20(12-18)23-15-17-9-5-2-6-10-17/h1-13H,14-15H2
InChIKeyZVDWFQPJADEFJA-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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Related Compounds

1-(Benzyloxy)-3-bromobenzene
CID 2756638
2-Methyl-1,3-bis(phenylmethoxy)benzene
CID 3620079
1-Bromo-3-[(4-fluorophenyl)methoxy]benzene
CID 2758970
3-[(m-Bromophenyl)methoxy]bromobenzene
CID 22601752
3,5-Bis(benzyloxy)benzyl Bromide
CID 2761019
7-[(4-Bromophenyl)methoxy]-2,2,8-trimethylchromene
CID 4247855
1-[(Z)-2-(4-bromophenyl)ethenyl]-3,5-dimethoxybenzene
CID 24883274
1-Bromo-3-[(4-bromophenyl)methoxy]benzene
CID 29283303
3-(3-Fluorobenzyloxy)-bromobenzene
CID 2758969
1-[(1E)-2-(4-bromophenyl)ethenyl]-3,5-dimethoxybenzene
CID 24721128
1,2-Bis(benzyloxy)-4-bromobenzene
CID 11280121
3,5-Bis(3,5-bis(benzyloxy)benzyloxy)benzyl Bromide
CID 11967226

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3,5-bis(phenylmethoxy)benzene?
The IUPAC name of 1-bromo-3,5-bis(phenylmethoxy)benzene (CID 11143141) is 1-bromo-3,5-bis(phenylmethoxy)benzene.
What is the SMILES notation for 1-bromo-3,5-bis(phenylmethoxy)benzene?
The canonical SMILES for 1-bromo-3,5-bis(phenylmethoxy)benzene is Brc1cc(OCc2ccccc2)cc(OCc2ccccc2)c1.
What is the InChIKey of 1-bromo-3,5-bis(phenylmethoxy)benzene?
The InChIKey is ZVDWFQPJADEFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrO2/c21-18-11-19(22-14-16-7-3-1-4-8-16)13-20(12-18)23-15-17-9-5-2-6-10-17/h1-13H,14-15H2.
What are the key properties of 1-bromo-3,5-bis(phenylmethoxy)benzene?
1-bromo-3,5-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 1-bromo-3,5-bis(phenylmethoxy)benzene is sourced from PubChem (CID 11143141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).