1-bromo-4-ethoxy-2,5-diethylbenzene

C12H17BrO — CID 146408869

IUPAC1-bromo-4-ethoxy-2,5-diethylbenzene
SMILESCCOc1cc(CC)c(Br)cc1CC
InChIInChI=1S/C12H17BrO/c1-4-9-8-12(14-6-3)10(5-2)7-11(9)13/h7-8H,4-6H2,1-3H3
InChIKeyHRIKVKMHFVZSGL-UHFFFAOYSA-N
MW257.17 g/mol
LogP3.97
Rot. Bonds4

About 1-bromo-4-ethoxy-2,5-diethylbenzene

1-bromo-4-ethoxy-2,5-diethylbenzene (PubChem CID 146408869) has the molecular formula C12H17BrO and a molecular weight of 257.17 g/mol. Its IUPAC name is 1-bromo-4-ethoxy-2,5-diethylbenzene.

Molecular Properties

Compound Name1-bromo-4-ethoxy-2,5-diethylbenzene
PubChem CID146408869
Molecular FormulaC12H17BrO
Molecular Weight257.17 g/mol
Exact Mass256.05
IUPAC Name1-bromo-4-ethoxy-2,5-diethylbenzene
SMILESCCOc1cc(CC)c(Br)cc1CC
InChIInChI=1S/C12H17BrO/c1-4-9-8-12(14-6-3)10(5-2)7-11(9)13/h7-8H,4-6H2,1-3H3
InChIKeyHRIKVKMHFVZSGL-UHFFFAOYSA-N
XLogP3.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.17
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,4-bis(bromomethyl)-2,5-diethoxybenzene
CID 22590203
(2-bromo-5-ethoxy-4-methoxyphenyl)methanol
CID 893488
1-bromo-5-ethyl-2,4-dimethoxybenzene
CID 58764118
4-(2-bromo-4,5-diethoxyphenyl)butanoic acid
CID 43330604
1-bromo-4-(3-chloropropoxy)-5-ethyl-2-methylbenzene
CID 142063917
5-bromo-4-ethoxy-1H-pyridin-2-one
CID 119093951
2-(2-bromo-4-ethoxy-5-methoxyphenyl)ethanamine
CID 170868746
1-bromo-5-tert-butyl-2-ethyl-4-methoxybenzene
CID 59309470
1-bromo-2-ethyl-4,5-dimethylbenzene
CID 90213759
ethyl 2-[5-bromo-2-ethoxy-4-(hydroxymethyl)phenoxy]acetate
CID 45371599
1-bromo-4,5-diethoxy-2-iodobenzene
CID 81479058
(2-bromo-4-ethoxy-5-methoxyphenyl)methyl-ethylazanium
CID 2215425

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-ethoxy-2,5-diethylbenzene?
The IUPAC name of 1-bromo-4-ethoxy-2,5-diethylbenzene (CID 146408869) is 1-bromo-4-ethoxy-2,5-diethylbenzene.
What is the SMILES notation for 1-bromo-4-ethoxy-2,5-diethylbenzene?
The canonical SMILES for 1-bromo-4-ethoxy-2,5-diethylbenzene is CCOc1cc(CC)c(Br)cc1CC.
What is the InChIKey of 1-bromo-4-ethoxy-2,5-diethylbenzene?
The InChIKey is HRIKVKMHFVZSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrO/c1-4-9-8-12(14-6-3)10(5-2)7-11(9)13/h7-8H,4-6H2,1-3H3.
What are the key properties of 1-bromo-4-ethoxy-2,5-diethylbenzene?
1-bromo-4-ethoxy-2,5-diethylbenzene has a molecular weight of 257.17 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-ethoxy-2,5-diethylbenzene is sourced from PubChem (CID 146408869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).