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

C10H12BrClO — CID 104661534

IUPAC2-bromo-4-(1-chloroethyl)-1-ethoxybenzene
SMILESCCOc1ccc(C(C)Cl)cc1Br
InChIInChI=1S/C10H12BrClO/c1-3-13-10-5-4-8(7(2)12)6-9(10)11/h4-7H,3H2,1-2H3
InChIKeyDEQPNKZKYUCGLI-UHFFFAOYSA-N
MW263.56 g/mol
LogP4.15
Rot. Bonds3

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

2-bromo-4-(1-chloroethyl)-1-ethoxybenzene (PubChem CID 104661534) has the molecular formula C10H12BrClO and a molecular weight of 263.56 g/mol. Its IUPAC name is 2-bromo-4-(1-chloroethyl)-1-ethoxybenzene.

Molecular Properties

Compound Name2-bromo-4-(1-chloroethyl)-1-ethoxybenzene
PubChem CID104661534
Molecular FormulaC10H12BrClO
Molecular Weight263.56 g/mol
Exact Mass261.98
IUPAC Name2-bromo-4-(1-chloroethyl)-1-ethoxybenzene
SMILESCCOc1ccc(C(C)Cl)cc1Br
InChIInChI=1S/C10H12BrClO/c1-3-13-10-5-4-8(7(2)12)6-9(10)11/h4-7H,3H2,1-2H3
InChIKeyDEQPNKZKYUCGLI-UHFFFAOYSA-N
XLogP4.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.56
LogP ≤ 54.15
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-bromoethyl)-1-ethoxybenzene
CID 104661738
2-bromo-4-(1-chlorobutyl)-1-ethoxybenzene
CID 104661505
2-bromo-4-[chloro-(4-fluorophenyl)methyl]-1-ethoxybenzene
CID 104661595
2-bromo-4-[bromo-(4-propan-2-ylphenyl)methyl]-1-ethoxybenzene
CID 104661812
2-bromo-4-[1-chloro-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-1-ethoxybenzene
CID 103310796
1-(3-bromo-4-ethoxyphenyl)-2,3-dimethylbutan-1-amine
CID 113438055
2-bromo-4-[chloro-(3-chlorophenyl)methyl]-1-ethoxybenzene
CID 104661483
1-(3-bromo-4-ethoxyphenyl)-2,2-dimethylpropan-1-amine
CID 104657289
2-bromo-1-ethoxy-4-hex-4-yn-2-ylbenzene
CID 83926220
3-[(3-bromo-4-ethoxyphenyl)-chloromethyl]bicyclo[3.1.0]hexane
CID 104661570
2-bromo-4-[bromo-(3,4-dimethylphenyl)methyl]-1-ethoxybenzene
CID 104661680
(3-bromo-4-ethoxyphenyl)-(3-bromo-4-methoxyphenyl)methanol
CID 104661023

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(1-chloroethyl)-1-ethoxybenzene?
The IUPAC name of 2-bromo-4-(1-chloroethyl)-1-ethoxybenzene (CID 104661534) is 2-bromo-4-(1-chloroethyl)-1-ethoxybenzene.
What is the SMILES notation for 2-bromo-4-(1-chloroethyl)-1-ethoxybenzene?
The canonical SMILES for 2-bromo-4-(1-chloroethyl)-1-ethoxybenzene is CCOc1ccc(C(C)Cl)cc1Br.
What is the InChIKey of 2-bromo-4-(1-chloroethyl)-1-ethoxybenzene?
The InChIKey is DEQPNKZKYUCGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClO/c1-3-13-10-5-4-8(7(2)12)6-9(10)11/h4-7H,3H2,1-2H3.
What are the key properties of 2-bromo-4-(1-chloroethyl)-1-ethoxybenzene?
2-bromo-4-(1-chloroethyl)-1-ethoxybenzene has a molecular weight of 263.56 g/mol, XLogP of 4.15, 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-chloroethyl)-1-ethoxybenzene is sourced from PubChem (CID 104661534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).