1-bromo-3-[(2R)-2-methoxypropoxy]benzene

C10H13BrO2 — CID 130454030

IUPAC1-bromo-3-[(2R)-2-methoxypropoxy]benzene
SMILESCO[C@H](C)COc1cccc(Br)c1
InChIInChI=1S/C10H13BrO2/c1-8(12-2)7-13-10-5-3-4-9(11)6-10/h3-6,8H,7H2,1-2H3/t8-/m1/s1
InChIKeyBCTZIKCLQLSCIH-MRVPVSSYSA-N
MW245.12 g/mol
LogP2.86
Rot. Bonds4

About 1-bromo-3-[(2R)-2-methoxypropoxy]benzene

1-bromo-3-[(2R)-2-methoxypropoxy]benzene (PubChem CID 130454030) has the molecular formula C10H13BrO2 and a molecular weight of 245.12 g/mol. Its IUPAC name is 1-bromo-3-[(2R)-2-methoxypropoxy]benzene.

Molecular Properties

Compound Name1-bromo-3-[(2R)-2-methoxypropoxy]benzene
PubChem CID130454030
Molecular FormulaC10H13BrO2
Molecular Weight245.12 g/mol
Exact Mass244.01
IUPAC Name1-bromo-3-[(2R)-2-methoxypropoxy]benzene
SMILESCO[C@H](C)COc1cccc(Br)c1
InChIInChI=1S/C10H13BrO2/c1-8(12-2)7-13-10-5-3-4-9(11)6-10/h3-6,8H,7H2,1-2H3/t8-/m1/s1
InChIKeyBCTZIKCLQLSCIH-MRVPVSSYSA-N
XLogP2.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-bromo-3-ethoxybenzene;ethane
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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[(2R)-2-methoxypropoxy]benzene?
The IUPAC name of 1-bromo-3-[(2R)-2-methoxypropoxy]benzene (CID 130454030) is 1-bromo-3-[(2R)-2-methoxypropoxy]benzene.
What is the SMILES notation for 1-bromo-3-[(2R)-2-methoxypropoxy]benzene?
The canonical SMILES for 1-bromo-3-[(2R)-2-methoxypropoxy]benzene is CO[C@H](C)COc1cccc(Br)c1.
What is the InChIKey of 1-bromo-3-[(2R)-2-methoxypropoxy]benzene?
The InChIKey is BCTZIKCLQLSCIH-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H13BrO2/c1-8(12-2)7-13-10-5-3-4-9(11)6-10/h3-6,8H,7H2,1-2H3/t8-/m1/s1.
What are the key properties of 1-bromo-3-[(2R)-2-methoxypropoxy]benzene?
1-bromo-3-[(2R)-2-methoxypropoxy]benzene has a molecular weight of 245.12 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[(2R)-2-methoxypropoxy]benzene is sourced from PubChem (CID 130454030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).