1-bromo-2-(2,2-dimethoxyethyl)benzene

C10H13BrO2 — CID 11032130

IUPAC1-bromo-2-(2,2-dimethoxyethyl)benzene
SMILESCOC(Cc1ccccc1Br)OC
InChIInChI=1S/C10H13BrO2/c1-12-10(13-2)7-8-5-3-4-6-9(8)11/h3-6,10H,7H2,1-2H3
InChIKeyVWLZELAZIWHGFR-UHFFFAOYSA-N
MW245.12 g/mol
LogP2.61
Rot. Bonds4

About 1-bromo-2-(2,2-dimethoxyethyl)benzene

1-bromo-2-(2,2-dimethoxyethyl)benzene (PubChem CID 11032130) has the molecular formula C10H13BrO2 and a molecular weight of 245.12 g/mol. Its IUPAC name is 1-bromo-2-(2,2-dimethoxyethyl)benzene.

Molecular Properties

Compound Name1-bromo-2-(2,2-dimethoxyethyl)benzene
PubChem CID11032130
Molecular FormulaC10H13BrO2
Molecular Weight245.12 g/mol
Exact Mass244.01
IUPAC Name1-bromo-2-(2,2-dimethoxyethyl)benzene
SMILESCOC(Cc1ccccc1Br)OC
InChIInChI=1S/C10H13BrO2/c1-12-10(13-2)7-8-5-3-4-6-9(8)11/h3-6,10H,7H2,1-2H3
InChIKeyVWLZELAZIWHGFR-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-bromo-2-(2,2-dimethoxyethyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(2-bromophenyl)-3-methoxybutan-2-yl]hydrazine
CID 105247124
1-bromo-2-[2-(bromomethyl)-3-methoxypropyl]benzene
CID 103985183
1-bromo-4-(2,2-dimethoxyethyl)benzene
CID 11550515
1-(2-bromophenyl)-3-(2-methoxyphenyl)propan-2-amine
CID 61261607
1-(2,2-dimethoxyethyl)-2-[2-(2,2-dimethoxyethyl)phenyl]sulfonylbenzene
CID 139670651
3-(2-bromophenyl)-1-cyclopropyl-1-methoxypropan-2-ol
CID 116712466
1-bromo-2-(3,3,3-trifluoro-2-methylpropyl)benzene
CID 134968828
1,2-bis(2-bromo-2-methoxyethyl)benzene
CID 174782644
[1-(2-bromophenyl)-3-phenylpropan-2-yl]hydrazine
CID 105195397
1-(2,2-dimethoxyethyl)-2-nitrobenzene
CID 10330783
1-bromo-2-(2-methoxyethyl)benzene
CID 5151997
2-(2-bromophenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine
CID 116714359

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(2,2-dimethoxyethyl)benzene?
The IUPAC name of 1-bromo-2-(2,2-dimethoxyethyl)benzene (CID 11032130) is 1-bromo-2-(2,2-dimethoxyethyl)benzene.
What is the SMILES notation for 1-bromo-2-(2,2-dimethoxyethyl)benzene?
The canonical SMILES for 1-bromo-2-(2,2-dimethoxyethyl)benzene is COC(Cc1ccccc1Br)OC.
What is the InChIKey of 1-bromo-2-(2,2-dimethoxyethyl)benzene?
The InChIKey is VWLZELAZIWHGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrO2/c1-12-10(13-2)7-8-5-3-4-6-9(8)11/h3-6,10H,7H2,1-2H3.
What are the key properties of 1-bromo-2-(2,2-dimethoxyethyl)benzene?
1-bromo-2-(2,2-dimethoxyethyl)benzene has a molecular weight of 245.12 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(2,2-dimethoxyethyl)benzene is sourced from PubChem (CID 11032130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).