1-bromo-3-[1-(1-methoxyethyl)cyclopropyl]benzene

C12H15BrO — CID 115047487

IUPAC1-bromo-3-[1-(1-methoxyethyl)cyclopropyl]benzene
SMILESCOC(C)C1(c2cccc(Br)c2)CC1
InChIInChI=1S/C12H15BrO/c1-9(14-2)12(6-7-12)10-4-3-5-11(13)8-10/h3-5,8-9H,6-7H2,1-2H3
InChIKeyAPOKXIWOBOGGAS-UHFFFAOYSA-N
MW255.16 g/mol
LogP3.52
Rot. Bonds3

About 1-bromo-3-[1-(1-methoxyethyl)cyclopropyl]benzene

1-bromo-3-[1-(1-methoxyethyl)cyclopropyl]benzene (PubChem CID 115047487) has the molecular formula C12H15BrO and a molecular weight of 255.16 g/mol. Its IUPAC name is 1-bromo-3-[1-(1-methoxyethyl)cyclopropyl]benzene.

Molecular Properties

Compound Name1-bromo-3-[1-(1-methoxyethyl)cyclopropyl]benzene
PubChem CID115047487
Molecular FormulaC12H15BrO
Molecular Weight255.16 g/mol
Exact Mass254.03
IUPAC Name1-bromo-3-[1-(1-methoxyethyl)cyclopropyl]benzene
SMILESCOC(C)C1(c2cccc(Br)c2)CC1
InChIInChI=1S/C12H15BrO/c1-9(14-2)12(6-7-12)10-4-3-5-11(13)8-10/h3-5,8-9H,6-7H2,1-2H3
InChIKeyAPOKXIWOBOGGAS-UHFFFAOYSA-N
XLogP3.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.16
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[3-[1-(1-methoxyethyl)cyclopropyl]phenyl]methanamine
CID 115024182
methyl 2-amino-2-[1-(3-bromophenyl)cyclopropyl]acetate
CID 115052116
1-bromo-3-(1-methoxycyclopentyl)benzene
CID 115047484
2-(3-bromophenyl)-2-propan-2-ylazepane
CID 115059411
1-(3-bromophenyl)cyclopropan-1-amine
CID 11127564
2-(3-bromophenyl)-2-(methoxymethyl)pyrrolidine
CID 117271922
1-bromo-3-[1-(methoxymethoxymethyl)cyclopropyl]benzene
CID 169228109
methyl 1-(3-bromophenyl)cyclobutane-1-carboxylate
CID 75487937
[2-(3-bromophenyl)azetidin-2-yl]methanamine
CID 115059263
1-(3-bromophenyl)-N-methylcyclopropan-1-amine;hydrochloride
CID 175203393
[[1-(3-bromophenyl)cyclopropyl]-dideuteriomethoxy]-tri(propan-2-yl)silane
CID 123362857
1-(3-bromophenyl)-N-(1-cyclopropylethyl)cyclopropan-1-amine
CID 115677263

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[1-(1-methoxyethyl)cyclopropyl]benzene?
The IUPAC name of 1-bromo-3-[1-(1-methoxyethyl)cyclopropyl]benzene (CID 115047487) is 1-bromo-3-[1-(1-methoxyethyl)cyclopropyl]benzene.
What is the SMILES notation for 1-bromo-3-[1-(1-methoxyethyl)cyclopropyl]benzene?
The canonical SMILES for 1-bromo-3-[1-(1-methoxyethyl)cyclopropyl]benzene is COC(C)C1(c2cccc(Br)c2)CC1.
What is the InChIKey of 1-bromo-3-[1-(1-methoxyethyl)cyclopropyl]benzene?
The InChIKey is APOKXIWOBOGGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO/c1-9(14-2)12(6-7-12)10-4-3-5-11(13)8-10/h3-5,8-9H,6-7H2,1-2H3.
What are the key properties of 1-bromo-3-[1-(1-methoxyethyl)cyclopropyl]benzene?
1-bromo-3-[1-(1-methoxyethyl)cyclopropyl]benzene has a molecular weight of 255.16 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[1-(1-methoxyethyl)cyclopropyl]benzene is sourced from PubChem (CID 115047487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).