1-bromo-4-[(1S)-1-methoxyethyl]benzene

C9H11BrO — CID 51534481

IUPAC1-bromo-4-[(1S)-1-methoxyethyl]benzene
SMILESCO[C@@H](C)c1ccc(Br)cc1
InChIInChI=1S/C9H11BrO/c1-7(11-2)8-3-5-9(10)6-4-8/h3-7H,1-2H3/t7-/m0/s1
InChIKeyDUCFFBWPWJEFDI-ZETCQYMHSA-N
MW215.09 g/mol
LogP3.16
Rot. Bonds2

About 1-bromo-4-[(1S)-1-methoxyethyl]benzene

1-bromo-4-[(1S)-1-methoxyethyl]benzene (PubChem CID 51534481) has the molecular formula C9H11BrO and a molecular weight of 215.09 g/mol. Its IUPAC name is 1-bromo-4-[(1S)-1-methoxyethyl]benzene.

Molecular Properties

Compound Name1-bromo-4-[(1S)-1-methoxyethyl]benzene
PubChem CID51534481
Molecular FormulaC9H11BrO
Molecular Weight215.09 g/mol
Exact Mass214.00
IUPAC Name1-bromo-4-[(1S)-1-methoxyethyl]benzene
SMILESCO[C@@H](C)c1ccc(Br)cc1
InChIInChI=1S/C9H11BrO/c1-7(11-2)8-3-5-9(10)6-4-8/h3-7H,1-2H3/t7-/m0/s1
InChIKeyDUCFFBWPWJEFDI-ZETCQYMHSA-N
XLogP3.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.09
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

O-[1-(4-bromophenyl)ethyl]hydroxylamine
CID 82024183
4-[(1R)-1-methoxyethyl]benzenethiol
CID 124500513
1-tert-butyl-4-(1-methoxyethyl)benzene
CID 15498380
[(1R)-1-(4-bromophenyl)ethyl] acetate
CID 11770642
1-bromo-4-(1-chloro-2-methylpropyl)benzene
CID 63428554
1-[(1S)-1-methoxyethyl]-4-(trifluoromethyl)benzene
CID 71379545
1-methoxy-4-[4-(1-methoxyethyl)phenyl]benzene
CID 139694053
N-[(1S)-1-(4-bromophenyl)ethyl]-1,1-dimethoxypropan-2-amine
CID 81360171
1-bromo-4-(1-pentan-2-yloxyethyl)benzene
CID 123476131
(2R)-2-(4-bromophenyl)-2-methoxyethanol
CID 59315196
2-(4-bromophenyl)-2-methoxyethanol
CID 20785407
[4-(1-methoxyethyl)phenyl]-diphenylbismuthane
CID 167627453

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[(1S)-1-methoxyethyl]benzene?
The IUPAC name of 1-bromo-4-[(1S)-1-methoxyethyl]benzene (CID 51534481) is 1-bromo-4-[(1S)-1-methoxyethyl]benzene.
What is the SMILES notation for 1-bromo-4-[(1S)-1-methoxyethyl]benzene?
The canonical SMILES for 1-bromo-4-[(1S)-1-methoxyethyl]benzene is CO[C@@H](C)c1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-[(1S)-1-methoxyethyl]benzene?
The InChIKey is DUCFFBWPWJEFDI-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H11BrO/c1-7(11-2)8-3-5-9(10)6-4-8/h3-7H,1-2H3/t7-/m0/s1.
What are the key properties of 1-bromo-4-[(1S)-1-methoxyethyl]benzene?
1-bromo-4-[(1S)-1-methoxyethyl]benzene has a molecular weight of 215.09 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[(1S)-1-methoxyethyl]benzene is sourced from PubChem (CID 51534481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).