(1-bromo-2-methoxypropan-2-yl)benzene

C10H13BrO — CID 14288292

IUPAC(1-bromo-2-methoxypropan-2-yl)benzene
SMILESCOC(C)(CBr)c1ccccc1
InChIInChI=1S/C10H13BrO/c1-10(8-11,12-2)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKeyVFOYFMNCGSJADN-UHFFFAOYSA-N
MW229.12 g/mol
LogP2.94
Rot. Bonds3

About (1-bromo-2-methoxypropan-2-yl)benzene

(1-bromo-2-methoxypropan-2-yl)benzene (PubChem CID 14288292) has the molecular formula C10H13BrO and a molecular weight of 229.12 g/mol. Its IUPAC name is (1-bromo-2-methoxypropan-2-yl)benzene.

Molecular Properties

Compound Name(1-bromo-2-methoxypropan-2-yl)benzene
PubChem CID14288292
Molecular FormulaC10H13BrO
Molecular Weight229.12 g/mol
Exact Mass228.01
IUPAC Name(1-bromo-2-methoxypropan-2-yl)benzene
SMILESCOC(C)(CBr)c1ccccc1
InChIInChI=1S/C10H13BrO/c1-10(8-11,12-2)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKeyVFOYFMNCGSJADN-UHFFFAOYSA-N
XLogP2.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.12
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[1-bromo-2-(2,2-difluoroethoxy)propan-2-yl]benzene
CID 114774767
[1-bromo-2-(3-methylbutoxy)propan-2-yl]benzene
CID 114772949
1-chloro-4-(2-methoxy-2-phenylpropyl)benzene
CID 132540002
(1-bromo-2-phenylpropan-2-yl)-trimethoxysilane
CID 174586767
(2-methoxy-5-phenylhex-5-en-2-yl)benzene
CID 71382828
2,6-dibromo-4-(1-bromo-2-methoxypropan-2-yl)phenol
CID 22118042
[1-bromo-2-(3,4-dimethylcyclohexyl)oxypropan-2-yl]benzene
CID 114774396
(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-methoxynonan-2-yl)benzene
CID 156765058
1,1,2-tribromoethylbenzene
CID 21124765
(1S)-1-methoxy-1-phenylethanol
CID 141414609
(1-fluoro-1-methoxyethyl)benzene
CID 89466800
[1-(2,2-diphenylpropylperoxy)-2-phenylpropan-2-yl]benzene
CID 23018909

Frequently Asked Questions

What is the IUPAC name of (1-bromo-2-methoxypropan-2-yl)benzene?
The IUPAC name of (1-bromo-2-methoxypropan-2-yl)benzene (CID 14288292) is (1-bromo-2-methoxypropan-2-yl)benzene.
What is the SMILES notation for (1-bromo-2-methoxypropan-2-yl)benzene?
The canonical SMILES for (1-bromo-2-methoxypropan-2-yl)benzene is COC(C)(CBr)c1ccccc1.
What is the InChIKey of (1-bromo-2-methoxypropan-2-yl)benzene?
The InChIKey is VFOYFMNCGSJADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrO/c1-10(8-11,12-2)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3.
What are the key properties of (1-bromo-2-methoxypropan-2-yl)benzene?
(1-bromo-2-methoxypropan-2-yl)benzene has a molecular weight of 229.12 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-bromo-2-methoxypropan-2-yl)benzene is sourced from PubChem (CID 14288292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).