2-bromo-1-(2-cyclopropylethoxy)-4-methoxybenzene

C12H15BrO2 — CID 104707383

IUPAC2-bromo-1-(2-cyclopropylethoxy)-4-methoxybenzene
SMILESCOc1ccc(OCCC2CC2)c(Br)c1
InChIInChI=1S/C12H15BrO2/c1-14-10-4-5-12(11(13)8-10)15-7-6-9-2-3-9/h4-5,8-9H,2-3,6-7H2,1H3
InChIKeyBYERJXFLXLOWMH-UHFFFAOYSA-N
MW271.15 g/mol
LogP3.64
Rot. Bonds5

About 2-bromo-1-(2-cyclopropylethoxy)-4-methoxybenzene

2-bromo-1-(2-cyclopropylethoxy)-4-methoxybenzene (PubChem CID 104707383) has the molecular formula C12H15BrO2 and a molecular weight of 271.15 g/mol. Its IUPAC name is 2-bromo-1-(2-cyclopropylethoxy)-4-methoxybenzene.

Molecular Properties

Compound Name2-bromo-1-(2-cyclopropylethoxy)-4-methoxybenzene
PubChem CID104707383
Molecular FormulaC12H15BrO2
Molecular Weight271.15 g/mol
Exact Mass270.03
IUPAC Name2-bromo-1-(2-cyclopropylethoxy)-4-methoxybenzene
SMILESCOc1ccc(OCCC2CC2)c(Br)c1
InChIInChI=1S/C12H15BrO2/c1-14-10-4-5-12(11(13)8-10)15-7-6-9-2-3-9/h4-5,8-9H,2-3,6-7H2,1H3
InChIKeyBYERJXFLXLOWMH-UHFFFAOYSA-N
XLogP3.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2-cyclopropylethoxy)-5-methoxyphenyl]boronic acid
CID 104706134
1-[3-bromo-4-(2-cyclopropylethoxy)phenyl]ethanone
CID 106202171
2-(chloromethyl)-1-(2-cyclopentylethoxy)-4-methoxybenzene
CID 114191425
2-bromo-4-methoxy-1-(4,4,4-trifluorobutoxy)benzene
CID 113443609
4-[(2-bromo-4-methoxyphenoxy)methyl]oxane
CID 104704638
2-(2-cyclobutylethoxy)-4-methoxyaniline
CID 106199765
1-[3-bromo-4-(2-cyclopropylethoxy)phenyl]-N-ethylethanamine
CID 106202199
2-(2-bromo-4-methoxyphenoxy)-1-cyclopentylethanone
CID 104705269
4-(2-bromo-4-methoxyphenoxy)butan-2-one
CID 104708081
2-(2-bromo-4-methoxyphenoxy)ethanesulfonamide
CID 104708667
2-bromo-4-methoxy-1-(2-methylsulfonylethoxy)benzene
CID 104707500
3-[2-(2-cyclopropylethoxy)-4-methoxyphenyl]prop-2-enoic acid
CID 77073969

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(2-cyclopropylethoxy)-4-methoxybenzene?
The IUPAC name of 2-bromo-1-(2-cyclopropylethoxy)-4-methoxybenzene (CID 104707383) is 2-bromo-1-(2-cyclopropylethoxy)-4-methoxybenzene.
What is the SMILES notation for 2-bromo-1-(2-cyclopropylethoxy)-4-methoxybenzene?
The canonical SMILES for 2-bromo-1-(2-cyclopropylethoxy)-4-methoxybenzene is COc1ccc(OCCC2CC2)c(Br)c1.
What is the InChIKey of 2-bromo-1-(2-cyclopropylethoxy)-4-methoxybenzene?
The InChIKey is BYERJXFLXLOWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO2/c1-14-10-4-5-12(11(13)8-10)15-7-6-9-2-3-9/h4-5,8-9H,2-3,6-7H2,1H3.
What are the key properties of 2-bromo-1-(2-cyclopropylethoxy)-4-methoxybenzene?
2-bromo-1-(2-cyclopropylethoxy)-4-methoxybenzene has a molecular weight of 271.15 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(2-cyclopropylethoxy)-4-methoxybenzene is sourced from PubChem (CID 104707383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).