1-bromo-2-[(2R)-2-(methoxymethoxy)-1-phenylpropan-2-yl]benzene

C17H19BrO2 — CID 129379479

IUPAC1-bromo-2-[(2R)-2-(methoxymethoxy)-1-phenylpropan-2-yl]benzene
SMILESCOCO[C@](C)(Cc1ccccc1)c1ccccc1Br
InChIInChI=1S/C17H19BrO2/c1-17(20-13-19-2,12-14-8-4-3-5-9-14)15-10-6-7-11-16(15)18/h3-11H,12-13H2,1-2H3/t17-/m1/s1
InChIKeyWGUMLDWTJJLTES-QGZVFWFLSA-N
MW335.24 g/mol
LogP4.53
Rot. Bonds6

About 1-bromo-2-[(2R)-2-(methoxymethoxy)-1-phenylpropan-2-yl]benzene

1-bromo-2-[(2R)-2-(methoxymethoxy)-1-phenylpropan-2-yl]benzene (PubChem CID 129379479) has the molecular formula C17H19BrO2 and a molecular weight of 335.24 g/mol. Its IUPAC name is 1-bromo-2-[(2R)-2-(methoxymethoxy)-1-phenylpropan-2-yl]benzene.

Molecular Properties

Compound Name1-bromo-2-[(2R)-2-(methoxymethoxy)-1-phenylpropan-2-yl]benzene
PubChem CID129379479
Molecular FormulaC17H19BrO2
Molecular Weight335.24 g/mol
Exact Mass334.06
IUPAC Name1-bromo-2-[(2R)-2-(methoxymethoxy)-1-phenylpropan-2-yl]benzene
SMILESCOCO[C@](C)(Cc1ccccc1)c1ccccc1Br
InChIInChI=1S/C17H19BrO2/c1-17(20-13-19-2,12-14-8-4-3-5-9-14)15-10-6-7-11-16(15)18/h3-11H,12-13H2,1-2H3/t17-/m1/s1
InChIKeyWGUMLDWTJJLTES-QGZVFWFLSA-N
XLogP4.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.24
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[(2R)-2-(methoxymethoxy)-1-phenylpropan-2-yl]benzene?
The IUPAC name of 1-bromo-2-[(2R)-2-(methoxymethoxy)-1-phenylpropan-2-yl]benzene (CID 129379479) is 1-bromo-2-[(2R)-2-(methoxymethoxy)-1-phenylpropan-2-yl]benzene.
What is the SMILES notation for 1-bromo-2-[(2R)-2-(methoxymethoxy)-1-phenylpropan-2-yl]benzene?
The canonical SMILES for 1-bromo-2-[(2R)-2-(methoxymethoxy)-1-phenylpropan-2-yl]benzene is COCO[C@](C)(Cc1ccccc1)c1ccccc1Br.
What is the InChIKey of 1-bromo-2-[(2R)-2-(methoxymethoxy)-1-phenylpropan-2-yl]benzene?
The InChIKey is WGUMLDWTJJLTES-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H19BrO2/c1-17(20-13-19-2,12-14-8-4-3-5-9-14)15-10-6-7-11-16(15)18/h3-11H,12-13H2,1-2H3/t17-/m1/s1.
What are the key properties of 1-bromo-2-[(2R)-2-(methoxymethoxy)-1-phenylpropan-2-yl]benzene?
1-bromo-2-[(2R)-2-(methoxymethoxy)-1-phenylpropan-2-yl]benzene has a molecular weight of 335.24 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[(2R)-2-(methoxymethoxy)-1-phenylpropan-2-yl]benzene is sourced from PubChem (CID 129379479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).