[(1R)-1-bromo-2,2-dimethoxyethyl]benzene

C10H13BrO2 — CID 129364228

IUPAC[(1R)-1-bromo-2,2-dimethoxyethyl]benzene
SMILESCOC(OC)[C@H](Br)c1ccccc1
InChIInChI=1S/C10H13BrO2/c1-12-10(13-2)9(11)8-6-4-3-5-7-8/h3-7,9-10H,1-2H3/t9-/m1/s1
InChIKeyBYCZMBJMRZGEDH-SECBINFHSA-N
MW245.12 g/mol
LogP2.74
Rot. Bonds4

About [(1R)-1-bromo-2,2-dimethoxyethyl]benzene

[(1R)-1-bromo-2,2-dimethoxyethyl]benzene (PubChem CID 129364228) has the molecular formula C10H13BrO2 and a molecular weight of 245.12 g/mol. Its IUPAC name is [(1R)-1-bromo-2,2-dimethoxyethyl]benzene.

Molecular Properties

Compound Name[(1R)-1-bromo-2,2-dimethoxyethyl]benzene
PubChem CID129364228
Molecular FormulaC10H13BrO2
Molecular Weight245.12 g/mol
Exact Mass244.01
IUPAC Name[(1R)-1-bromo-2,2-dimethoxyethyl]benzene
SMILESCOC(OC)[C@H](Br)c1ccccc1
InChIInChI=1S/C10H13BrO2/c1-12-10(13-2)9(11)8-6-4-3-5-7-8/h3-7,9-10H,1-2H3/t9-/m1/s1
InChIKeyBYCZMBJMRZGEDH-SECBINFHSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(1R,2R)-1,2-dibromo-2-phenylethyl]benzene
CID 3010073
[(1S,2S)-1,2-dibromo-2-phenylethyl]benzene
CID 10969851
(1-bromo-2,2-diethoxyethyl)benzene
CID 14140193
methyl (2R,3R)-2,3-dibromo-3-phenylpropanoate
CID 6994239
1-bromo-1-phenylpropan-2-amine
CID 12709385
[(1R)-1-bromo-3-methoxypropyl]benzene
CID 129389905
1,1-dimethoxy-N-[(1R)-1-phenylethyl]propan-2-amine
CID 81351773
1-bromoethylbenzene
CID 11454
[1,2-dibromo-3-(2,3-dibromo-3-phenylpropoxy)propyl]benzene
CID 174279741
[(1S,2R)-1-bromo-2-chloro-2-phenylethyl]benzene
CID 101135261
(2-bromo-2,2-difluoro-1-methoxyethyl)benzene
CID 165349696
1-methoxy-N-[methoxy(phenyl)methyl]-1-phenylmethanamine
CID 22278186

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-bromo-2,2-dimethoxyethyl]benzene?
The IUPAC name of [(1R)-1-bromo-2,2-dimethoxyethyl]benzene (CID 129364228) is [(1R)-1-bromo-2,2-dimethoxyethyl]benzene.
What is the SMILES notation for [(1R)-1-bromo-2,2-dimethoxyethyl]benzene?
The canonical SMILES for [(1R)-1-bromo-2,2-dimethoxyethyl]benzene is COC(OC)[C@H](Br)c1ccccc1.
What is the InChIKey of [(1R)-1-bromo-2,2-dimethoxyethyl]benzene?
The InChIKey is BYCZMBJMRZGEDH-SECBINFHSA-N. The full InChI is InChI=1S/C10H13BrO2/c1-12-10(13-2)9(11)8-6-4-3-5-7-8/h3-7,9-10H,1-2H3/t9-/m1/s1.
What are the key properties of [(1R)-1-bromo-2,2-dimethoxyethyl]benzene?
[(1R)-1-bromo-2,2-dimethoxyethyl]benzene has a molecular weight of 245.12 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-bromo-2,2-dimethoxyethyl]benzene is sourced from PubChem (CID 129364228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).