(2-bromo-2-ethoxyethyl)benzene

C10H13BrO — CID 18694508

IUPAC(2-bromo-2-ethoxyethyl)benzene
SMILESCCOC(Br)Cc1ccccc1
InChIInChI=1S/C10H13BrO/c1-2-12-10(11)8-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3
InChIKeyUJKNDRSBBCYCHL-UHFFFAOYSA-N
MW229.12 g/mol
LogP2.99
Rot. Bonds4

About (2-bromo-2-ethoxyethyl)benzene

(2-bromo-2-ethoxyethyl)benzene (PubChem CID 18694508) has the molecular formula C10H13BrO and a molecular weight of 229.12 g/mol. Its IUPAC name is (2-bromo-2-ethoxyethyl)benzene.

Molecular Properties

Compound Name(2-bromo-2-ethoxyethyl)benzene
PubChem CID18694508
Molecular FormulaC10H13BrO
Molecular Weight229.12 g/mol
Exact Mass228.01
IUPAC Name(2-bromo-2-ethoxyethyl)benzene
SMILESCCOC(Br)Cc1ccccc1
InChIInChI=1S/C10H13BrO/c1-2-12-10(11)8-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3
InChIKeyUJKNDRSBBCYCHL-UHFFFAOYSA-N
XLogP2.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.12
LogP ≤ 52.99
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

(2-ethoxy-2-phenoxyethyl)benzene
CID 54511534
2-ethoxy-3-phenylpropanoic acid
CID 54403311
(1R)-1-[4-(diethoxymethyl)phenyl]-2-phenylethanol
CID 125466229
1,1-diethoxy-3-methyl-4-phenylbutan-2-ol
CID 101485670
1,1-diethoxyethane;2-phenylethylbenzene
CID 66689331
(2-bromo-3,3-dimethylpentyl)benzene
CID 63529714
1,3-bis(2-ethoxypropyl)benzene
CID 71389865
(1-bromo-2,2-diethoxyethyl)benzene
CID 14140193
4-bromo-2-(1-bromo-2-phenylethyl)-1-ethoxybenzene
CID 63443048
N-(2,2-diethoxyethyl)-1-phenylbutan-2-amine
CID 79547344
(1R)-1-bromo-2-phenylethanamine
CID 164702405
N,N-dibenzyl-1,1-diethoxymethanamine
CID 71360875

Frequently Asked Questions

What is the IUPAC name of (2-bromo-2-ethoxyethyl)benzene?
The IUPAC name of (2-bromo-2-ethoxyethyl)benzene (CID 18694508) is (2-bromo-2-ethoxyethyl)benzene.
What is the SMILES notation for (2-bromo-2-ethoxyethyl)benzene?
The canonical SMILES for (2-bromo-2-ethoxyethyl)benzene is CCOC(Br)Cc1ccccc1.
What is the InChIKey of (2-bromo-2-ethoxyethyl)benzene?
The InChIKey is UJKNDRSBBCYCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrO/c1-2-12-10(11)8-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3.
What are the key properties of (2-bromo-2-ethoxyethyl)benzene?
(2-bromo-2-ethoxyethyl)benzene has a molecular weight of 229.12 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-2-ethoxyethyl)benzene is sourced from PubChem (CID 18694508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).