[(2R)-4,4-dibromo-2-methylbut-3-enoxy]methylbenzene

C12H14Br2O — CID 124579108

IUPAC[(2R)-4,4-dibromo-2-methylbut-3-enoxy]methylbenzene
SMILESC[C@H](C=C(Br)Br)COCc1ccccc1
InChIInChI=1S/C12H14Br2O/c1-10(7-12(13)14)8-15-9-11-5-3-2-4-6-11/h2-7,10H,8-9H2,1H3/t10-/m1/s1
InChIKeyWGXHVRSCNWISHQ-SNVBAGLBSA-N
MW334.05 g/mol
LogP4.47
Rot. Bonds5

About [(2R)-4,4-dibromo-2-methylbut-3-enoxy]methylbenzene

[(2R)-4,4-dibromo-2-methylbut-3-enoxy]methylbenzene (PubChem CID 124579108) has the molecular formula C12H14Br2O and a molecular weight of 334.05 g/mol. Its IUPAC name is [(2R)-4,4-dibromo-2-methylbut-3-enoxy]methylbenzene.

Molecular Properties

Compound Name[(2R)-4,4-dibromo-2-methylbut-3-enoxy]methylbenzene
PubChem CID124579108
Molecular FormulaC12H14Br2O
Molecular Weight334.05 g/mol
Exact Mass331.94
IUPAC Name[(2R)-4,4-dibromo-2-methylbut-3-enoxy]methylbenzene
SMILESC[C@H](C=C(Br)Br)COCc1ccccc1
InChIInChI=1S/C12H14Br2O/c1-10(7-12(13)14)8-15-9-11-5-3-2-4-6-11/h2-7,10H,8-9H2,1H3/t10-/m1/s1
InChIKeyWGXHVRSCNWISHQ-SNVBAGLBSA-N
XLogP4.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.05
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108
(Z,4S)-4-methyl-5-phenylmethoxypent-2-en-1-ol
CID 13182140
[(E,2R)-5-bromo-2-methylpent-3-enoxy]methylbenzene
CID 135014115
trimethyl-[(Z,4R)-4-methyl-1-phenyl-5-phenylmethoxypent-2-en-2-yl]silane
CID 101162239
(Z,1S,5R)-3,5-dimethyl-1-phenyl-6-phenylmethoxyhex-3-en-1-ol
CID 10358052
2-phenylmethoxyethane-1,1-diol
CID 59866645
2,2-dibromoethoxymethylbenzene
CID 14668834
(2R)-2-methyl-1-phenyl-3-phenylmethoxypropan-1-one
CID 12630921
methanol;2-methylpropoxymethanol;2-methylpropoxymethylbenzene
CID 165070743
[(2R)-4-bromo-2-methylbutoxy]methylbenzene
CID 174482888
(E,4R)-4-methyl-5-(phenylmethoxymethoxy)pent-2-en-1-ol
CID 11806633
6-methyl-7-phenylmethoxyhept-2-en-4-ol
CID 57213229

Frequently Asked Questions

What is the IUPAC name of [(2R)-4,4-dibromo-2-methylbut-3-enoxy]methylbenzene?
The IUPAC name of [(2R)-4,4-dibromo-2-methylbut-3-enoxy]methylbenzene (CID 124579108) is [(2R)-4,4-dibromo-2-methylbut-3-enoxy]methylbenzene.
What is the SMILES notation for [(2R)-4,4-dibromo-2-methylbut-3-enoxy]methylbenzene?
The canonical SMILES for [(2R)-4,4-dibromo-2-methylbut-3-enoxy]methylbenzene is C[C@H](C=C(Br)Br)COCc1ccccc1.
What is the InChIKey of [(2R)-4,4-dibromo-2-methylbut-3-enoxy]methylbenzene?
The InChIKey is WGXHVRSCNWISHQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H14Br2O/c1-10(7-12(13)14)8-15-9-11-5-3-2-4-6-11/h2-7,10H,8-9H2,1H3/t10-/m1/s1.
What are the key properties of [(2R)-4,4-dibromo-2-methylbut-3-enoxy]methylbenzene?
[(2R)-4,4-dibromo-2-methylbut-3-enoxy]methylbenzene has a molecular weight of 334.05 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4,4-dibromo-2-methylbut-3-enoxy]methylbenzene is sourced from PubChem (CID 124579108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).