1,2-dibromo-5-ethoxy-3-(1-ethoxyethoxy)benzene

C12H16Br2O3 — CID 174187739

IUPAC1,2-dibromo-5-ethoxy-3-(1-ethoxyethoxy)benzene
SMILESCCOc1cc(Br)c(Br)c(OC(C)OCC)c1
InChIInChI=1S/C12H16Br2O3/c1-4-15-8(3)17-11-7-9(16-5-2)6-10(13)12(11)14/h6-8H,4-5H2,1-3H3
InChIKeyPNPUQPKBGNLBQH-UHFFFAOYSA-N
MW368.07 g/mol
LogP4.37
Rot. Bonds6

About 1,2-dibromo-5-ethoxy-3-(1-ethoxyethoxy)benzene

1,2-dibromo-5-ethoxy-3-(1-ethoxyethoxy)benzene (PubChem CID 174187739) has the molecular formula C12H16Br2O3 and a molecular weight of 368.07 g/mol. Its IUPAC name is 1,2-dibromo-5-ethoxy-3-(1-ethoxyethoxy)benzene.

Molecular Properties

Compound Name1,2-dibromo-5-ethoxy-3-(1-ethoxyethoxy)benzene
PubChem CID174187739
Molecular FormulaC12H16Br2O3
Molecular Weight368.07 g/mol
Exact Mass365.95
IUPAC Name1,2-dibromo-5-ethoxy-3-(1-ethoxyethoxy)benzene
SMILESCCOc1cc(Br)c(Br)c(OC(C)OCC)c1
InChIInChI=1S/C12H16Br2O3/c1-4-15-8(3)17-11-7-9(16-5-2)6-10(13)12(11)14/h6-8H,4-5H2,1-3H3
InChIKeyPNPUQPKBGNLBQH-UHFFFAOYSA-N
XLogP4.37
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.07
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,2-dibromo-5-ethoxy-3-(1-ethoxyethoxy)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-dibromo-4-ethoxyaniline
CID 14043930
1,3-dibromo-5-(1-ethoxyethoxy)benzene
CID 134249105
1,4-bis(1-ethoxyethoxy)benzene
CID 10934047
1-butan-2-yl-4-(1-ethoxyethoxy)-2-(1-methoxyethoxy)benzene
CID 168757602
2-butan-2-yl-1,4-bis(1-ethoxyethoxy)benzene
CID 164764954
1-bromo-3,5-diethoxybenzene
CID 150473293
1-bromo-2,3-dichloro-5-ethoxybenzene
CID 171032896
2-ethenyl-1,4-bis(1-ethoxyethoxy)benzene
CID 102247848
1,2-dibromo-5-(difluoromethoxy)-3-(fluoromethoxy)benzene
CID 118841497
1-bromo-5-ethoxy-2-fluoro-3-methylbenzene
CID 164891518
1-bromo-3-(1-ethoxyethoxy)-5-(1-methoxyethyl)benzene
CID 134249348
1,2,3-tribromo-5-[2-(3,4,5-tribromophenoxy)ethoxy]benzene
CID 57181302

Frequently Asked Questions

What is the IUPAC name of 1,2-dibromo-5-ethoxy-3-(1-ethoxyethoxy)benzene?
The IUPAC name of 1,2-dibromo-5-ethoxy-3-(1-ethoxyethoxy)benzene (CID 174187739) is 1,2-dibromo-5-ethoxy-3-(1-ethoxyethoxy)benzene.
What is the SMILES notation for 1,2-dibromo-5-ethoxy-3-(1-ethoxyethoxy)benzene?
The canonical SMILES for 1,2-dibromo-5-ethoxy-3-(1-ethoxyethoxy)benzene is CCOc1cc(Br)c(Br)c(OC(C)OCC)c1.
What is the InChIKey of 1,2-dibromo-5-ethoxy-3-(1-ethoxyethoxy)benzene?
The InChIKey is PNPUQPKBGNLBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Br2O3/c1-4-15-8(3)17-11-7-9(16-5-2)6-10(13)12(11)14/h6-8H,4-5H2,1-3H3.
What are the key properties of 1,2-dibromo-5-ethoxy-3-(1-ethoxyethoxy)benzene?
1,2-dibromo-5-ethoxy-3-(1-ethoxyethoxy)benzene has a molecular weight of 368.07 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibromo-5-ethoxy-3-(1-ethoxyethoxy)benzene is sourced from PubChem (CID 174187739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).