1-bromo-4-[1-(2-methoxyphenyl)butyl]benzene

C17H19BrO — CID 58302960

IUPAC1-bromo-4-[1-(2-methoxyphenyl)butyl]benzene
SMILESCCCC(c1ccc(Br)cc1)c1ccccc1OC
InChIInChI=1S/C17H19BrO/c1-3-6-15(13-9-11-14(18)12-10-13)16-7-4-5-8-17(16)19-2/h4-5,7-12,15H,3,6H2,1-2H3
InChIKeyXKMYFTZGOIVFSD-UHFFFAOYSA-N
MW319.24 g/mol
LogP5.39
Rot. Bonds5

About 1-bromo-4-[1-(2-methoxyphenyl)butyl]benzene

1-bromo-4-[1-(2-methoxyphenyl)butyl]benzene (PubChem CID 58302960) has the molecular formula C17H19BrO and a molecular weight of 319.24 g/mol. Its IUPAC name is 1-bromo-4-[1-(2-methoxyphenyl)butyl]benzene.

Molecular Properties

Compound Name1-bromo-4-[1-(2-methoxyphenyl)butyl]benzene
PubChem CID58302960
Molecular FormulaC17H19BrO
Molecular Weight319.24 g/mol
Exact Mass318.06
IUPAC Name1-bromo-4-[1-(2-methoxyphenyl)butyl]benzene
SMILESCCCC(c1ccc(Br)cc1)c1ccccc1OC
InChIInChI=1S/C17H19BrO/c1-3-6-15(13-9-11-14(18)12-10-13)16-7-4-5-8-17(16)19-2/h4-5,7-12,15H,3,6H2,1-2H3
InChIKeyXKMYFTZGOIVFSD-UHFFFAOYSA-N
XLogP5.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.24
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-4-[chloro-(2-methoxyphenyl)methyl]benzene
CID 63428712
N-[(4-bromophenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 43488692
bis(4-bromo-1-methoxy-2-(1-phenylbutyl)benzene);4-(5-bromo-2-methoxyphenyl)-4-phenylbutan-2-one;3-(5-bromo-2-methoxyphenyl)-3-phenylpropan-1-ol
CID 157066040
3,3-bis(2-methoxyphenyl)propylphosphane
CID 57073175
1-(4-bromophenyl)-N-[(4-bromophenyl)methyl]methanamine;1-phenylbutylbenzene
CID 70441708
2-(4-chlorophenyl)-2-(2-methoxyphenyl)ethanamine
CID 82023303
1-bromo-4-[1-(4-bromophenyl)pentyl]benzene
CID 154634126
1-(1-bromo-2-phenylethyl)-2-methoxybenzene
CID 63017425
1-(2-methoxyphenyl)-N-methyl-2-propylpentan-1-amine
CID 115792570
1-methoxy-2-[(E)-oct-6-en-4-yl]benzene
CID 142273894
2-(1-phenylbutyl)benzenecarboperoxoic acid
CID 175075603
2-[(4-bromophenyl)methyl]-8-[3-(2-methoxyphenyl)-3-phenylpropyl]-2,8-diazaspiro[4.5]decan-1-one
CID 11455593

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[1-(2-methoxyphenyl)butyl]benzene?
The IUPAC name of 1-bromo-4-[1-(2-methoxyphenyl)butyl]benzene (CID 58302960) is 1-bromo-4-[1-(2-methoxyphenyl)butyl]benzene.
What is the SMILES notation for 1-bromo-4-[1-(2-methoxyphenyl)butyl]benzene?
The canonical SMILES for 1-bromo-4-[1-(2-methoxyphenyl)butyl]benzene is CCCC(c1ccc(Br)cc1)c1ccccc1OC.
What is the InChIKey of 1-bromo-4-[1-(2-methoxyphenyl)butyl]benzene?
The InChIKey is XKMYFTZGOIVFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrO/c1-3-6-15(13-9-11-14(18)12-10-13)16-7-4-5-8-17(16)19-2/h4-5,7-12,15H,3,6H2,1-2H3.
What are the key properties of 1-bromo-4-[1-(2-methoxyphenyl)butyl]benzene?
1-bromo-4-[1-(2-methoxyphenyl)butyl]benzene has a molecular weight of 319.24 g/mol, XLogP of 5.39, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[1-(2-methoxyphenyl)butyl]benzene is sourced from PubChem (CID 58302960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).