4-bromo-1-chloro-2-(2-propoxyethoxy)benzene

C11H14BrClO2 — CID 106452990

IUPAC4-bromo-1-chloro-2-(2-propoxyethoxy)benzene
SMILESCCCOCCOc1cc(Br)ccc1Cl
InChIInChI=1S/C11H14BrClO2/c1-2-5-14-6-7-15-11-8-9(12)3-4-10(11)13/h3-4,8H,2,5-7H2,1H3
InChIKeyRKDDBTRAUAETEZ-UHFFFAOYSA-N
MW293.59 g/mol
LogP3.91
Rot. Bonds6

About 4-bromo-1-chloro-2-(2-propoxyethoxy)benzene

4-bromo-1-chloro-2-(2-propoxyethoxy)benzene (PubChem CID 106452990) has the molecular formula C11H14BrClO2 and a molecular weight of 293.59 g/mol. Its IUPAC name is 4-bromo-1-chloro-2-(2-propoxyethoxy)benzene.

Molecular Properties

Compound Name4-bromo-1-chloro-2-(2-propoxyethoxy)benzene
PubChem CID106452990
Molecular FormulaC11H14BrClO2
Molecular Weight293.59 g/mol
Exact Mass291.99
IUPAC Name4-bromo-1-chloro-2-(2-propoxyethoxy)benzene
SMILESCCCOCCOc1cc(Br)ccc1Cl
InChIInChI=1S/C11H14BrClO2/c1-2-5-14-6-7-15-11-8-9(12)3-4-10(11)13/h3-4,8H,2,5-7H2,1H3
InChIKeyRKDDBTRAUAETEZ-UHFFFAOYSA-N
XLogP3.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.59
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(5-bromo-2-chlorophenoxy)-N,N-dimethylpropan-1-amine
CID 114525429
4-bromo-1-chloro-2-(3-ethylsulfonylpropoxy)benzene
CID 65092693
2-bromo-4-methyl-1-(2-propoxyethoxy)benzene
CID 106452978
4-bromo-2-(2-butoxyethoxy)-1-fluorobenzene
CID 115919154
4-bromo-1-chloro-2-(4,4,4-trifluorobutoxy)benzene
CID 115514016
N-[[5-bromo-2-(2-propoxyethoxy)phenyl]methyl]propan-1-amine
CID 106449718
4-bromo-1-chloro-2-(2-methylidenebutoxy)benzene
CID 66043796
4-bromo-2-(2-ethoxyethoxy)aniline
CID 65342534
tert-butyl N-[4-chloro-3-(2-propoxyethoxy)phenyl]carbamate
CID 163546426
4-bromo-1,2-dibutoxybenzene
CID 10870333
2-[2-(4-bromo-2-chlorophenoxy)ethoxy]ethyl-[(2S)-butan-2-yl]azanium
CID 2181884
2-[2-(4-bromo-2-chlorophenoxy)ethoxy]ethyl-[(2R)-butan-2-yl]azanium
CID 2181886

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-chloro-2-(2-propoxyethoxy)benzene?
The IUPAC name of 4-bromo-1-chloro-2-(2-propoxyethoxy)benzene (CID 106452990) is 4-bromo-1-chloro-2-(2-propoxyethoxy)benzene.
What is the SMILES notation for 4-bromo-1-chloro-2-(2-propoxyethoxy)benzene?
The canonical SMILES for 4-bromo-1-chloro-2-(2-propoxyethoxy)benzene is CCCOCCOc1cc(Br)ccc1Cl.
What is the InChIKey of 4-bromo-1-chloro-2-(2-propoxyethoxy)benzene?
The InChIKey is RKDDBTRAUAETEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClO2/c1-2-5-14-6-7-15-11-8-9(12)3-4-10(11)13/h3-4,8H,2,5-7H2,1H3.
What are the key properties of 4-bromo-1-chloro-2-(2-propoxyethoxy)benzene?
4-bromo-1-chloro-2-(2-propoxyethoxy)benzene has a molecular weight of 293.59 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-chloro-2-(2-propoxyethoxy)benzene is sourced from PubChem (CID 106452990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).