1-(2-bromoethoxy)ethoxybenzene

C10H13BrO2 — CID 69208548

IUPAC1-(2-bromoethoxy)ethoxybenzene
SMILESCC(OCCBr)Oc1ccccc1
InChIInChI=1S/C10H13BrO2/c1-9(12-8-7-11)13-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3
InChIKeyRUAROLWXDYZUNS-UHFFFAOYSA-N
MW245.12 g/mol
LogP2.82
Rot. Bonds5

About 1-(2-bromoethoxy)ethoxybenzene

1-(2-bromoethoxy)ethoxybenzene (PubChem CID 69208548) has the molecular formula C10H13BrO2 and a molecular weight of 245.12 g/mol. Its IUPAC name is 1-(2-bromoethoxy)ethoxybenzene.

Molecular Properties

Compound Name1-(2-bromoethoxy)ethoxybenzene
PubChem CID69208548
Molecular FormulaC10H13BrO2
Molecular Weight245.12 g/mol
Exact Mass244.01
IUPAC Name1-(2-bromoethoxy)ethoxybenzene
SMILESCC(OCCBr)Oc1ccccc1
InChIInChI=1S/C10H13BrO2/c1-9(12-8-7-11)13-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3
InChIKeyRUAROLWXDYZUNS-UHFFFAOYSA-N
XLogP2.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-bromoethoxy)ethylbenzene
CID 24688557
1-methoxyethoxybenzene
CID 18188895
1-(1-phenoxyethylperoxy)ethoxybenzene
CID 175523991
ethane;1-ethoxyethoxybenzene;phenol;propane
CID 162122955
1-[2-[2,2-bis(1-phenoxyethoxymethyl)butoxymethyl]-2-(1-phenoxyethoxymethyl)butoxy]ethoxybenzene
CID 139547150
tris[4-(1-phenoxyethoxy)phenyl]sulfanium
CID 139829592
bis(2-methylpropyl)-(1-phenoxyethoxy)alumane
CID 139905308
6-bromohexan-2-yloxybenzene
CID 150425058
benzene;ethane;1-ethoxyethoxybenzene;1-ethoxy-1-methoxyethane;1-methoxyethoxybenzene;phenol;propane
CID 163693929
[1,2-bis(2-bromoethoxy)-2-phenylethyl]benzene
CID 10717396
1,4-bis(1-ethoxyethoxy)benzene
CID 10934047
bis[4-(1-ethoxyethoxy)phenyl]-phenylsulfanium
CID 18945784

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoethoxy)ethoxybenzene?
The IUPAC name of 1-(2-bromoethoxy)ethoxybenzene (CID 69208548) is 1-(2-bromoethoxy)ethoxybenzene.
What is the SMILES notation for 1-(2-bromoethoxy)ethoxybenzene?
The canonical SMILES for 1-(2-bromoethoxy)ethoxybenzene is CC(OCCBr)Oc1ccccc1.
What is the InChIKey of 1-(2-bromoethoxy)ethoxybenzene?
The InChIKey is RUAROLWXDYZUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrO2/c1-9(12-8-7-11)13-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3.
What are the key properties of 1-(2-bromoethoxy)ethoxybenzene?
1-(2-bromoethoxy)ethoxybenzene has a molecular weight of 245.12 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoethoxy)ethoxybenzene is sourced from PubChem (CID 69208548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).