1-bromo-2-methyl-4,5-bis(phenylmethoxy)benzene

C21H19BrO2 — CID 135397184

IUPAC1-bromo-2-methyl-4,5-bis(phenylmethoxy)benzene
SMILESCc1cc(OCc2ccccc2)c(OCc2ccccc2)cc1Br
InChIInChI=1S/C21H19BrO2/c1-16-12-20(23-14-17-8-4-2-5-9-17)21(13-19(16)22)24-15-18-10-6-3-7-11-18/h2-13H,14-15H2,1H3
InChIKeyHIDNWQWJNHATIM-UHFFFAOYSA-N
MW383.28 g/mol
LogP5.92
Rot. Bonds6

About 1-bromo-2-methyl-4,5-bis(phenylmethoxy)benzene

1-bromo-2-methyl-4,5-bis(phenylmethoxy)benzene (PubChem CID 135397184) has the molecular formula C21H19BrO2 and a molecular weight of 383.28 g/mol. Its IUPAC name is 1-bromo-2-methyl-4,5-bis(phenylmethoxy)benzene.

Molecular Properties

Compound Name1-bromo-2-methyl-4,5-bis(phenylmethoxy)benzene
PubChem CID135397184
Molecular FormulaC21H19BrO2
Molecular Weight383.28 g/mol
Exact Mass382.06
IUPAC Name1-bromo-2-methyl-4,5-bis(phenylmethoxy)benzene
SMILESCc1cc(OCc2ccccc2)c(OCc2ccccc2)cc1Br
InChIInChI=1S/C21H19BrO2/c1-16-12-20(23-14-17-8-4-2-5-9-17)21(13-19(16)22)24-15-18-10-6-3-7-11-18/h2-13H,14-15H2,1H3
InChIKeyHIDNWQWJNHATIM-UHFFFAOYSA-N
XLogP5.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.28
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-4-(3-methoxypropoxy)-2-methyl-5-phenylmethoxybenzene
CID 135296706
1-bromo-5-fluoro-4-methyl-2-phenylmethoxybenzene
CID 164894745
2-bromo-5-methyl-4-phenylmethoxybenzoic acid
CID 151110927
4-[(4-bromo-2,5-dimethylphenoxy)methyl]aniline
CID 22688159
2-bromo-4-methyl-5-phenylmethoxypyridine
CID 166661810
1-bromo-2-(bromomethyl)-4-methoxy-5-phenylmethoxybenzene
CID 12062736
2,3,6,7,10,11-hexakis(phenylmethoxy)triphenylene
CID 11040205
1-bromo-5-[(4-ethylphenyl)methyl]-4-methyl-2-phenylmethoxybenzene
CID 59243503
4-bromo-2-methyl-6-phenylmethoxyaniline
CID 58826330
4-bromo-5-methyl-7-phenylmethoxy-1H-indole
CID 59898831
2-bromo-4-tert-butyl-1-phenylmethoxybenzene
CID 15152030
1-bromo-3-iodo-2-methyl-4-phenylmethoxybenzene
CID 134498356

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-methyl-4,5-bis(phenylmethoxy)benzene?
The IUPAC name of 1-bromo-2-methyl-4,5-bis(phenylmethoxy)benzene (CID 135397184) is 1-bromo-2-methyl-4,5-bis(phenylmethoxy)benzene.
What is the SMILES notation for 1-bromo-2-methyl-4,5-bis(phenylmethoxy)benzene?
The canonical SMILES for 1-bromo-2-methyl-4,5-bis(phenylmethoxy)benzene is Cc1cc(OCc2ccccc2)c(OCc2ccccc2)cc1Br.
What is the InChIKey of 1-bromo-2-methyl-4,5-bis(phenylmethoxy)benzene?
The InChIKey is HIDNWQWJNHATIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrO2/c1-16-12-20(23-14-17-8-4-2-5-9-17)21(13-19(16)22)24-15-18-10-6-3-7-11-18/h2-13H,14-15H2,1H3.
What are the key properties of 1-bromo-2-methyl-4,5-bis(phenylmethoxy)benzene?
1-bromo-2-methyl-4,5-bis(phenylmethoxy)benzene has a molecular weight of 383.28 g/mol, XLogP of 5.92, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-methyl-4,5-bis(phenylmethoxy)benzene is sourced from PubChem (CID 135397184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).