2-bromo-4-(1-bromoethyl)-1-ethoxybenzene

C10H12Br2O — CID 104661738

IUPAC2-bromo-4-(1-bromoethyl)-1-ethoxybenzene
SMILESCCOc1ccc(C(C)Br)cc1Br
InChIInChI=1S/C10H12Br2O/c1-3-13-10-5-4-8(7(2)11)6-9(10)12/h4-7H,3H2,1-2H3
InChIKeyQTVQENVOCBFPOT-UHFFFAOYSA-N
MW308.01 g/mol
LogP4.30
Rot. Bonds3

About 2-bromo-4-(1-bromoethyl)-1-ethoxybenzene

2-bromo-4-(1-bromoethyl)-1-ethoxybenzene (PubChem CID 104661738) has the molecular formula C10H12Br2O and a molecular weight of 308.01 g/mol. Its IUPAC name is 2-bromo-4-(1-bromoethyl)-1-ethoxybenzene.

Molecular Properties

Compound Name2-bromo-4-(1-bromoethyl)-1-ethoxybenzene
PubChem CID104661738
Molecular FormulaC10H12Br2O
Molecular Weight308.01 g/mol
Exact Mass305.93
IUPAC Name2-bromo-4-(1-bromoethyl)-1-ethoxybenzene
SMILESCCOc1ccc(C(C)Br)cc1Br
InChIInChI=1S/C10H12Br2O/c1-3-13-10-5-4-8(7(2)11)6-9(10)12/h4-7H,3H2,1-2H3
InChIKeyQTVQENVOCBFPOT-UHFFFAOYSA-N
XLogP4.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.01
LogP ≤ 54.30
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-bromo-4-(1-chloroethyl)-1-ethoxybenzene
CID 104661534
2-bromo-4-[bromo-(4-propan-2-ylphenyl)methyl]-1-ethoxybenzene
CID 104661812
2-bromo-4-[bromo-(3,4-dimethylphenyl)methyl]-1-ethoxybenzene
CID 104661680
1-(3-bromo-4-ethoxyphenyl)-3-methylpentan-1-amine
CID 114874622
1-(3-bromo-4-ethoxyphenyl)-2,3-dimethylbutan-1-amine
CID 113438055
1-(3-bromo-4-ethoxyphenyl)-2,2-dimethylpropan-1-amine
CID 104657289
2-bromo-1-ethoxy-4-hex-4-yn-2-ylbenzene
CID 83926220
2-bromo-4-(1-chlorobutyl)-1-ethoxybenzene
CID 104661505
(3-bromo-4-ethoxyphenyl)-(3-bromo-4-methoxyphenyl)methanol
CID 104661023
2-bromo-4-(1-bromoheptyl)-1-ethoxybenzene
CID 114753725
(3-bromo-4-ethoxyphenyl)-(4-ethylphenyl)methanol
CID 67459476
1-(3-bromo-4-ethoxyphenyl)pentan-1-ol
CID 104661010

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(1-bromoethyl)-1-ethoxybenzene?
The IUPAC name of 2-bromo-4-(1-bromoethyl)-1-ethoxybenzene (CID 104661738) is 2-bromo-4-(1-bromoethyl)-1-ethoxybenzene.
What is the SMILES notation for 2-bromo-4-(1-bromoethyl)-1-ethoxybenzene?
The canonical SMILES for 2-bromo-4-(1-bromoethyl)-1-ethoxybenzene is CCOc1ccc(C(C)Br)cc1Br.
What is the InChIKey of 2-bromo-4-(1-bromoethyl)-1-ethoxybenzene?
The InChIKey is QTVQENVOCBFPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Br2O/c1-3-13-10-5-4-8(7(2)11)6-9(10)12/h4-7H,3H2,1-2H3.
What are the key properties of 2-bromo-4-(1-bromoethyl)-1-ethoxybenzene?
2-bromo-4-(1-bromoethyl)-1-ethoxybenzene has a molecular weight of 308.01 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(1-bromoethyl)-1-ethoxybenzene is sourced from PubChem (CID 104661738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).