1-bromo-4-ethoxy-2,3,5-trimethylbenzene

C11H15BrO — CID 143804486

IUPAC1-bromo-4-ethoxy-2,3,5-trimethylbenzene
SMILESCCOc1c(C)cc(Br)c(C)c1C
InChIInChI=1S/C11H15BrO/c1-5-13-11-7(2)6-10(12)8(3)9(11)4/h6H,5H2,1-4H3
InChIKeyKWWFIHQWXJHYOF-UHFFFAOYSA-N
MW243.14 g/mol
LogP3.77
Rot. Bonds2

About 1-bromo-4-ethoxy-2,3,5-trimethylbenzene

1-bromo-4-ethoxy-2,3,5-trimethylbenzene (PubChem CID 143804486) has the molecular formula C11H15BrO and a molecular weight of 243.14 g/mol. Its IUPAC name is 1-bromo-4-ethoxy-2,3,5-trimethylbenzene.

Molecular Properties

Compound Name1-bromo-4-ethoxy-2,3,5-trimethylbenzene
PubChem CID143804486
Molecular FormulaC11H15BrO
Molecular Weight243.14 g/mol
Exact Mass242.03
IUPAC Name1-bromo-4-ethoxy-2,3,5-trimethylbenzene
SMILESCCOc1c(C)cc(Br)c(C)c1C
InChIInChI=1S/C11H15BrO/c1-5-13-11-7(2)6-10(12)8(3)9(11)4/h6H,5H2,1-4H3
InChIKeyKWWFIHQWXJHYOF-UHFFFAOYSA-N
XLogP3.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.14
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

CID 174707577
CID 174707577
4-[(4-bromo-2,3,6-trimethylphenoxy)methyl]benzoic acid
CID 20986180
2-ethoxy-5-methoxy-1,3-dimethylbenzene
CID 130882299
5-ethoxy-4,6-dimethyl-1-benzothiophene
CID 130955667
1-bromo-5-(bromomethyl)-2,3-diethoxybenzene
CID 43627282
1-bromo-4-chloro-3-ethoxy-2-methylbenzene
CID 171000252
1,3-dibromo-5-[2-(3,5-dibromo-4-ethoxyphenyl)propan-2-yl]-2-methylbenzene;bis(2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol)
CID 164990435
4-ethoxy-3,5-dimethylbenzaldehyde
CID 18182978
1,2,3,4,5-pentaethoxy-6-methylbenzene
CID 173439159
4-ethoxy-2,3,5-trimethyl-N-(2-methylbut-3-yn-2-yl)aniline
CID 18318086
2-bromo-3-ethoxy-4-methylthiophene
CID 141403641
5-bromo-2-ethoxy-3-methylbenzenesulfonyl chloride
CID 63216576

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-ethoxy-2,3,5-trimethylbenzene?
The IUPAC name of 1-bromo-4-ethoxy-2,3,5-trimethylbenzene (CID 143804486) is 1-bromo-4-ethoxy-2,3,5-trimethylbenzene.
What is the SMILES notation for 1-bromo-4-ethoxy-2,3,5-trimethylbenzene?
The canonical SMILES for 1-bromo-4-ethoxy-2,3,5-trimethylbenzene is CCOc1c(C)cc(Br)c(C)c1C.
What is the InChIKey of 1-bromo-4-ethoxy-2,3,5-trimethylbenzene?
The InChIKey is KWWFIHQWXJHYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO/c1-5-13-11-7(2)6-10(12)8(3)9(11)4/h6H,5H2,1-4H3.
What are the key properties of 1-bromo-4-ethoxy-2,3,5-trimethylbenzene?
1-bromo-4-ethoxy-2,3,5-trimethylbenzene has a molecular weight of 243.14 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-ethoxy-2,3,5-trimethylbenzene is sourced from PubChem (CID 143804486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).