1-bromo-3,5-diethoxybenzene

C10H13BrO2 — CID 150473293

IUPAC1-bromo-3,5-diethoxybenzene
SMILESCCOc1cc(Br)cc(OCC)c1
InChIInChI=1S/C10H13BrO2/c1-3-12-9-5-8(11)6-10(7-9)13-4-2/h5-7H,3-4H2,1-2H3
InChIKeyHSGLIWRHSFOBMZ-UHFFFAOYSA-N
MW245.12 g/mol
LogP3.25
Rot. Bonds4

About 1-bromo-3,5-diethoxybenzene

1-bromo-3,5-diethoxybenzene (PubChem CID 150473293) has the molecular formula C10H13BrO2 and a molecular weight of 245.12 g/mol. Its IUPAC name is 1-bromo-3,5-diethoxybenzene.

Molecular Properties

Compound Name1-bromo-3,5-diethoxybenzene
PubChem CID150473293
Molecular FormulaC10H13BrO2
Molecular Weight245.12 g/mol
Exact Mass244.01
IUPAC Name1-bromo-3,5-diethoxybenzene
SMILESCCOc1cc(Br)cc(OCC)c1
InChIInChI=1S/C10H13BrO2/c1-3-12-9-5-8(11)6-10(7-9)13-4-2/h5-7H,3-4H2,1-2H3
InChIKeyHSGLIWRHSFOBMZ-UHFFFAOYSA-N
XLogP3.25
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 ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-3-ethoxy-5-methylsulfanylbenzene
CID 164894269
1,3-dibromo-5-propoxybenzene
CID 58270933
1-bromo-3-ethoxybenzene;ethane
CID 143900364
N-(3-bromo-5-ethoxyphenyl)methanesulfonamide
CID 59772894
3,5-diethoxyaniline
CID 22605063
2,6-dibromo-4-ethoxyaniline
CID 14043930
tris(3,5-diethoxyphenyl)phosphane
CID 22768293
2-bromo-7-ethoxynaphthalene
CID 22240149
1-bromo-2,3-dichloro-5-ethoxybenzene
CID 171032896
bis(3,5-diethoxyphenyl)silyloxy-bis(3,5-diethoxyphenyl)silane
CID 123507229
1-bromo-5-ethoxy-2-fluoro-3-methylbenzene
CID 164891518
ethyl 3-bromo-5-[2-(3-bromo-5-ethoxycarbonylphenoxy)ethoxy]benzoate
CID 171595459

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3,5-diethoxybenzene?
The IUPAC name of 1-bromo-3,5-diethoxybenzene (CID 150473293) is 1-bromo-3,5-diethoxybenzene.
What is the SMILES notation for 1-bromo-3,5-diethoxybenzene?
The canonical SMILES for 1-bromo-3,5-diethoxybenzene is CCOc1cc(Br)cc(OCC)c1.
What is the InChIKey of 1-bromo-3,5-diethoxybenzene?
The InChIKey is HSGLIWRHSFOBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrO2/c1-3-12-9-5-8(11)6-10(7-9)13-4-2/h5-7H,3-4H2,1-2H3.
What are the key properties of 1-bromo-3,5-diethoxybenzene?
1-bromo-3,5-diethoxybenzene has a molecular weight of 245.12 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3,5-diethoxybenzene is sourced from PubChem (CID 150473293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).