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

C10H12Br2O2 — CID 134249105

IUPAC1,3-dibromo-5-(1-ethoxyethoxy)benzene
SMILESCCOC(C)Oc1cc(Br)cc(Br)c1
InChIInChI=1S/C10H12Br2O2/c1-3-13-7(2)14-10-5-8(11)4-9(12)6-10/h4-7H,3H2,1-2H3
InChIKeySSMHMOFLDKSVGI-UHFFFAOYSA-N
MW324.01 g/mol
LogP3.97
Rot. Bonds4

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

1,3-dibromo-5-(1-ethoxyethoxy)benzene (PubChem CID 134249105) has the molecular formula C10H12Br2O2 and a molecular weight of 324.01 g/mol. Its IUPAC name is 1,3-dibromo-5-(1-ethoxyethoxy)benzene.

Molecular Properties

Compound Name1,3-dibromo-5-(1-ethoxyethoxy)benzene
PubChem CID134249105
Molecular FormulaC10H12Br2O2
Molecular Weight324.01 g/mol
Exact Mass321.92
IUPAC Name1,3-dibromo-5-(1-ethoxyethoxy)benzene
SMILESCCOC(C)Oc1cc(Br)cc(Br)c1
InChIInChI=1S/C10H12Br2O2/c1-3-13-7(2)14-10-5-8(11)4-9(12)6-10/h4-7H,3H2,1-2H3
InChIKeySSMHMOFLDKSVGI-UHFFFAOYSA-N
XLogP3.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.01
LogP ≤ 53.97
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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Related Compounds

1-bromo-3-(1-ethoxyethoxy)-5-(1-methoxyethyl)benzene
CID 134249348
1,4-bis(1-ethoxyethoxy)benzene
CID 10934047
1,3-dibromo-5-propan-2-yloxybenzene
CID 50998234
2,7-dibromo-9,9-bis[4-(1-ethoxyethoxy)phenyl]fluorene
CID 69264851
4-(1-ethoxyethoxy)aniline
CID 139920192
1,4-bis[bis[4-(1-ethoxyethoxy)phenyl]methyl]benzene
CID 90276539
2-[3-(1-ethoxyethoxy)-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 58720461
1,2-dibromo-5-ethoxy-3-(1-ethoxyethoxy)benzene
CID 174187739
[3-(1-ethoxyethoxy)phenyl]boronic acid
CID 23148193
1-(1-ethoxyethoxy)-4-[4-(1-ethoxyethoxy)phenyl]tellanylbenzene
CID 140901390
1-[1,1-bis[4-(1-ethoxyethoxy)phenyl]ethyl]-4-(1-ethoxyethoxy)benzene
CID 22726285
1-bromo-3,5-diethoxybenzene
CID 150473293

Frequently Asked Questions

What is the IUPAC name of 1,3-dibromo-5-(1-ethoxyethoxy)benzene?
The IUPAC name of 1,3-dibromo-5-(1-ethoxyethoxy)benzene (CID 134249105) is 1,3-dibromo-5-(1-ethoxyethoxy)benzene.
What is the SMILES notation for 1,3-dibromo-5-(1-ethoxyethoxy)benzene?
The canonical SMILES for 1,3-dibromo-5-(1-ethoxyethoxy)benzene is CCOC(C)Oc1cc(Br)cc(Br)c1.
What is the InChIKey of 1,3-dibromo-5-(1-ethoxyethoxy)benzene?
The InChIKey is SSMHMOFLDKSVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Br2O2/c1-3-13-7(2)14-10-5-8(11)4-9(12)6-10/h4-7H,3H2,1-2H3.
What are the key properties of 1,3-dibromo-5-(1-ethoxyethoxy)benzene?
1,3-dibromo-5-(1-ethoxyethoxy)benzene has a molecular weight of 324.01 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibromo-5-(1-ethoxyethoxy)benzene is sourced from PubChem (CID 134249105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).