[(2R,3R)-1,4-dibromo-3-phenylmethoxybutan-2-yl]oxymethylbenzene

C18H20Br2O2 — CID 101207998

IUPAC[(2R,3R)-1,4-dibromo-3-phenylmethoxybutan-2-yl]oxymethylbenzene
SMILESBrC[C@H](OCc1ccccc1)[C@H](CBr)OCc1ccccc1
InChIInChI=1S/C18H20Br2O2/c19-11-17(21-13-15-7-3-1-4-8-15)18(12-20)22-14-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2/t17-,18-/m0/s1
InChIKeyDQOBFSQUSLTOAG-ROUUACIJSA-N
MW428.16 g/mol
LogP4.95
Rot. Bonds9

About [(2R,3R)-1,4-dibromo-3-phenylmethoxybutan-2-yl]oxymethylbenzene

[(2R,3R)-1,4-dibromo-3-phenylmethoxybutan-2-yl]oxymethylbenzene (PubChem CID 101207998) has the molecular formula C18H20Br2O2 and a molecular weight of 428.16 g/mol. Its IUPAC name is [(2R,3R)-1,4-dibromo-3-phenylmethoxybutan-2-yl]oxymethylbenzene.

Molecular Properties

Compound Name[(2R,3R)-1,4-dibromo-3-phenylmethoxybutan-2-yl]oxymethylbenzene
PubChem CID101207998
Molecular FormulaC18H20Br2O2
Molecular Weight428.16 g/mol
Exact Mass425.98
IUPAC Name[(2R,3R)-1,4-dibromo-3-phenylmethoxybutan-2-yl]oxymethylbenzene
SMILESBrC[C@H](OCc1ccccc1)[C@H](CBr)OCc1ccccc1
InChIInChI=1S/C18H20Br2O2/c19-11-17(21-13-15-7-3-1-4-8-15)18(12-20)22-14-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2/t17-,18-/m0/s1
InChIKeyDQOBFSQUSLTOAG-ROUUACIJSA-N
XLogP4.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.16
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-bromo-4-[[(2R,3R)-1,4-dibromo-3-[(4-bromophenyl)methoxy]butan-2-yl]oxymethyl]benzene
CID 132518009
[(1S,2R,3R)-1-[(1S)-1,2-bis(phenylmethoxy)ethyl]-2,3,4-tris(phenylmethoxy)butoxy]methylbenzene
CID 99647470
(2S,3S)-3-phenylmethoxybutane-1,2,4-triol
CID 10921802
2-(2-bromo-1-phenylmethoxyethyl)oxirane
CID 562170
benzhydryloxymethylbenzene
CID 11437288
1,3,4-trimethoxybutan-2-yloxymethylbenzene
CID 561767
(2R,3R)-2-phenylmethoxybutane-1,3-diol
CID 130609358
butan-2-yloxymethylbenzene;ethane
CID 161043537
3-methyl-2-phenylmethoxypentan-1-ol
CID 123785184
(2-bromo-4-methylpentan-3-yl)oxymethylbenzene
CID 141136218
1-chloroprop-2-enoxymethylbenzene
CID 175273540
[(2S)-3,3-dimethylbutan-2-yl]oxymethylbenzene;ethane
CID 143788890

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-1,4-dibromo-3-phenylmethoxybutan-2-yl]oxymethylbenzene?
The IUPAC name of [(2R,3R)-1,4-dibromo-3-phenylmethoxybutan-2-yl]oxymethylbenzene (CID 101207998) is [(2R,3R)-1,4-dibromo-3-phenylmethoxybutan-2-yl]oxymethylbenzene.
What is the SMILES notation for [(2R,3R)-1,4-dibromo-3-phenylmethoxybutan-2-yl]oxymethylbenzene?
The canonical SMILES for [(2R,3R)-1,4-dibromo-3-phenylmethoxybutan-2-yl]oxymethylbenzene is BrC[C@H](OCc1ccccc1)[C@H](CBr)OCc1ccccc1.
What is the InChIKey of [(2R,3R)-1,4-dibromo-3-phenylmethoxybutan-2-yl]oxymethylbenzene?
The InChIKey is DQOBFSQUSLTOAG-ROUUACIJSA-N. The full InChI is InChI=1S/C18H20Br2O2/c19-11-17(21-13-15-7-3-1-4-8-15)18(12-20)22-14-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2/t17-,18-/m0/s1.
What are the key properties of [(2R,3R)-1,4-dibromo-3-phenylmethoxybutan-2-yl]oxymethylbenzene?
[(2R,3R)-1,4-dibromo-3-phenylmethoxybutan-2-yl]oxymethylbenzene has a molecular weight of 428.16 g/mol, XLogP of 4.95, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-1,4-dibromo-3-phenylmethoxybutan-2-yl]oxymethylbenzene is sourced from PubChem (CID 101207998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).