1-bromo-5-[(4-ethylphenyl)methyl]-4-methyl-2-phenylmethoxybenzene

C23H23BrO — CID 59243503

IUPAC1-bromo-5-[(4-ethylphenyl)methyl]-4-methyl-2-phenylmethoxybenzene
SMILESCCc1ccc(Cc2cc(Br)c(OCc3ccccc3)cc2C)cc1
InChIInChI=1S/C23H23BrO/c1-3-18-9-11-19(12-10-18)14-21-15-22(24)23(13-17(21)2)25-16-20-7-5-4-6-8-20/h4-13,15H,3,14,16H2,1-2H3
InChIKeyXSXVRPJTGMUYCX-UHFFFAOYSA-N
MW395.34 g/mol
LogP6.49
Rot. Bonds6

About 1-bromo-5-[(4-ethylphenyl)methyl]-4-methyl-2-phenylmethoxybenzene

1-bromo-5-[(4-ethylphenyl)methyl]-4-methyl-2-phenylmethoxybenzene (PubChem CID 59243503) has the molecular formula C23H23BrO and a molecular weight of 395.34 g/mol. Its IUPAC name is 1-bromo-5-[(4-ethylphenyl)methyl]-4-methyl-2-phenylmethoxybenzene.

Molecular Properties

Compound Name1-bromo-5-[(4-ethylphenyl)methyl]-4-methyl-2-phenylmethoxybenzene
PubChem CID59243503
Molecular FormulaC23H23BrO
Molecular Weight395.34 g/mol
Exact Mass394.09
IUPAC Name1-bromo-5-[(4-ethylphenyl)methyl]-4-methyl-2-phenylmethoxybenzene
SMILESCCc1ccc(Cc2cc(Br)c(OCc3ccccc3)cc2C)cc1
InChIInChI=1S/C23H23BrO/c1-3-18-9-11-19(12-10-18)14-21-15-22(24)23(13-17(21)2)25-16-20-7-5-4-6-8-20/h4-13,15H,3,14,16H2,1-2H3
InChIKeyXSXVRPJTGMUYCX-UHFFFAOYSA-N
XLogP6.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.34
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-5-fluoro-4-methyl-2-phenylmethoxybenzene
CID 164894745
1-bromo-2-methyl-4,5-bis(phenylmethoxy)benzene
CID 135397184
(4-bromo-2-ethyl-5-phenylmethoxyphenyl) methanesulfonate
CID 54569256
1,4-dibenzyl-2,5-dimethylbenzene
CID 22920047
3-[(5-bromo-2-fluoro-4-phenylmethoxyphenyl)methyl]bicyclo[4.2.0]octa-1(6),2,4-triene
CID 134498468
1-[(4-ethylphenyl)methyl]-4-(2-methoxyethenyl)-2-phenylmethoxybenzene
CID 68986877
1-ethyl-2-[(4-ethylphenyl)methoxy]benzene
CID 64764755
4-bromo-2-ethyl-1-phenylmethoxybenzene;ethane
CID 144758228
ethyl 3-bromo-4-phenylmethoxybenzoate
CID 54793242
6-bromo-1,1,4,4-tetramethyl-7-phenylmethoxy-2,3-dihydronaphthalene
CID 22345420
2-bromo-4-ethyl-3-methyl-5-phenylmethoxypyridine
CID 90979990
2-bromo-4-[[4-(methoxymethoxy)phenyl]methyl]-1-phenylmethoxybenzene
CID 59141082

Frequently Asked Questions

What is the IUPAC name of 1-bromo-5-[(4-ethylphenyl)methyl]-4-methyl-2-phenylmethoxybenzene?
The IUPAC name of 1-bromo-5-[(4-ethylphenyl)methyl]-4-methyl-2-phenylmethoxybenzene (CID 59243503) is 1-bromo-5-[(4-ethylphenyl)methyl]-4-methyl-2-phenylmethoxybenzene.
What is the SMILES notation for 1-bromo-5-[(4-ethylphenyl)methyl]-4-methyl-2-phenylmethoxybenzene?
The canonical SMILES for 1-bromo-5-[(4-ethylphenyl)methyl]-4-methyl-2-phenylmethoxybenzene is CCc1ccc(Cc2cc(Br)c(OCc3ccccc3)cc2C)cc1.
What is the InChIKey of 1-bromo-5-[(4-ethylphenyl)methyl]-4-methyl-2-phenylmethoxybenzene?
The InChIKey is XSXVRPJTGMUYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23BrO/c1-3-18-9-11-19(12-10-18)14-21-15-22(24)23(13-17(21)2)25-16-20-7-5-4-6-8-20/h4-13,15H,3,14,16H2,1-2H3.
What are the key properties of 1-bromo-5-[(4-ethylphenyl)methyl]-4-methyl-2-phenylmethoxybenzene?
1-bromo-5-[(4-ethylphenyl)methyl]-4-methyl-2-phenylmethoxybenzene has a molecular weight of 395.34 g/mol, XLogP of 6.49, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-5-[(4-ethylphenyl)methyl]-4-methyl-2-phenylmethoxybenzene is sourced from PubChem (CID 59243503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).