1-bromo-4-(1-ethoxyethoxy)benzene

C10H13BrO2 — CID 2723761

IUPAC1-bromo-4-(1-ethoxyethoxy)benzene
SMILESCCOC(C)Oc1ccc(Br)cc1
InChIInChI=1S/C10H13BrO2/c1-3-12-8(2)13-10-6-4-9(11)5-7-10/h4-8H,3H2,1-2H3
InChIKeyLCLUUJLBNFCPNM-UHFFFAOYSA-N
MW245.12 g/mol
LogP3.21
Rot. Bonds4

About 1-bromo-4-(1-ethoxyethoxy)benzene

1-bromo-4-(1-ethoxyethoxy)benzene (PubChem CID 2723761) has the molecular formula C10H13BrO2 and a molecular weight of 245.12 g/mol. Its IUPAC name is 1-bromo-4-(1-ethoxyethoxy)benzene.

Molecular Properties

Compound Name1-bromo-4-(1-ethoxyethoxy)benzene
PubChem CID2723761
Molecular FormulaC10H13BrO2
Molecular Weight245.12 g/mol
Exact Mass244.01
IUPAC Name1-bromo-4-(1-ethoxyethoxy)benzene
SMILESCCOC(C)Oc1ccc(Br)cc1
InChIInChI=1S/C10H13BrO2/c1-3-12-8(2)13-10-6-4-9(11)5-7-10/h4-8H,3H2,1-2H3
InChIKeyLCLUUJLBNFCPNM-UHFFFAOYSA-N
XLogP3.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(1-ethoxyethoxy)benzene?
The IUPAC name of 1-bromo-4-(1-ethoxyethoxy)benzene (CID 2723761) is 1-bromo-4-(1-ethoxyethoxy)benzene.
What is the SMILES notation for 1-bromo-4-(1-ethoxyethoxy)benzene?
The canonical SMILES for 1-bromo-4-(1-ethoxyethoxy)benzene is CCOC(C)Oc1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-(1-ethoxyethoxy)benzene?
The InChIKey is LCLUUJLBNFCPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrO2/c1-3-12-8(2)13-10-6-4-9(11)5-7-10/h4-8H,3H2,1-2H3.
What are the key properties of 1-bromo-4-(1-ethoxyethoxy)benzene?
1-bromo-4-(1-ethoxyethoxy)benzene has a molecular weight of 245.12 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(1-ethoxyethoxy)benzene is sourced from PubChem (CID 2723761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).