1-bromo-4-(2-phenylbutan-2-yloxymethyl)benzene

C17H19BrO — CID 5105675

IUPAC1-bromo-4-(2-phenylbutan-2-yloxymethyl)benzene
SMILESCCC(C)(OCc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C17H19BrO/c1-3-17(2,15-7-5-4-6-8-15)19-13-14-9-11-16(18)12-10-14/h4-12H,3,13H2,1-2H3
InChIKeyGKUHXVFGVFOJPZ-UHFFFAOYSA-N
MW319.24 g/mol
LogP5.29
Rot. Bonds5

About 1-bromo-4-(2-phenylbutan-2-yloxymethyl)benzene

1-bromo-4-(2-phenylbutan-2-yloxymethyl)benzene (PubChem CID 5105675) has the molecular formula C17H19BrO and a molecular weight of 319.24 g/mol. Its IUPAC name is 1-bromo-4-(2-phenylbutan-2-yloxymethyl)benzene.

Molecular Properties

Compound Name1-bromo-4-(2-phenylbutan-2-yloxymethyl)benzene
PubChem CID5105675
Molecular FormulaC17H19BrO
Molecular Weight319.24 g/mol
Exact Mass318.06
IUPAC Name1-bromo-4-(2-phenylbutan-2-yloxymethyl)benzene
SMILESCCC(C)(OCc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C17H19BrO/c1-3-17(2,15-7-5-4-6-8-15)19-13-14-9-11-16(18)12-10-14/h4-12H,3,13H2,1-2H3
InChIKeyGKUHXVFGVFOJPZ-UHFFFAOYSA-N
XLogP5.29
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 ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-4-[4-(2-phenylbutan-2-yloxymethyl)phenyl]benzene
CID 59036889
1-bromo-4-[2-[(4-bromophenyl)methoxy]propan-2-yloxymethyl]benzene
CID 154634128
[4-(2-phenylmethoxybutan-2-yl)phenyl] benzenesulfonate
CID 87298411
3-(4-bromophenyl)-2-methyl-2-phenylmethoxypropanoic acid
CID 67305553
(2S)-3-(4-bromophenyl)-2-methyl-2-phenylmethoxypropanoic acid
CID 67304966
2-hydroperoxybutan-2-ylbenzene
CID 15510207
2-[(4-bromophenyl)methoxy]-N-ethyl-2-methylpropan-1-amine
CID 82831620
2-[3-[3-(2-phenylbutan-2-ylperoxy)pentan-3-ylperoxy]pentan-3-ylperoxy]butan-2-ylbenzene
CID 171749540
2-[2-[2-[2-(2-phenylbutan-2-ylperoxy)butan-2-ylperoxy]butan-2-ylperoxy]butan-2-ylperoxy]butan-2-ylbenzene
CID 171749550
1-propyl-4-(trityloxymethyl)benzene
CID 129275643
(3-bromo-2,3-dimethylbutan-2-yl)oxymethylbenzene
CID 13234795
2-[(4-bromophenyl)methoxy]-3-methoxy-2-methyl-3-oxopropanoic acid
CID 58354452

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(2-phenylbutan-2-yloxymethyl)benzene?
The IUPAC name of 1-bromo-4-(2-phenylbutan-2-yloxymethyl)benzene (CID 5105675) is 1-bromo-4-(2-phenylbutan-2-yloxymethyl)benzene.
What is the SMILES notation for 1-bromo-4-(2-phenylbutan-2-yloxymethyl)benzene?
The canonical SMILES for 1-bromo-4-(2-phenylbutan-2-yloxymethyl)benzene is CCC(C)(OCc1ccc(Br)cc1)c1ccccc1.
What is the InChIKey of 1-bromo-4-(2-phenylbutan-2-yloxymethyl)benzene?
The InChIKey is GKUHXVFGVFOJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrO/c1-3-17(2,15-7-5-4-6-8-15)19-13-14-9-11-16(18)12-10-14/h4-12H,3,13H2,1-2H3.
What are the key properties of 1-bromo-4-(2-phenylbutan-2-yloxymethyl)benzene?
1-bromo-4-(2-phenylbutan-2-yloxymethyl)benzene has a molecular weight of 319.24 g/mol, XLogP of 5.29, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(2-phenylbutan-2-yloxymethyl)benzene is sourced from PubChem (CID 5105675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).