2-bromo-1-(cyclopropylmethoxy)-3-methoxybenzene

C11H13BrO2 — CID 171373950

IUPAC2-bromo-1-(cyclopropylmethoxy)-3-methoxybenzene
SMILESCOc1cccc(OCC2CC2)c1Br
InChIInChI=1S/C11H13BrO2/c1-13-9-3-2-4-10(11(9)12)14-7-8-5-6-8/h2-4,8H,5-7H2,1H3
InChIKeyXLYZEXPBQMNHTR-UHFFFAOYSA-N
MW257.13 g/mol
LogP3.25
Rot. Bonds4

About 2-bromo-1-(cyclopropylmethoxy)-3-methoxybenzene

2-bromo-1-(cyclopropylmethoxy)-3-methoxybenzene (PubChem CID 171373950) has the molecular formula C11H13BrO2 and a molecular weight of 257.13 g/mol. Its IUPAC name is 2-bromo-1-(cyclopropylmethoxy)-3-methoxybenzene.

Molecular Properties

Compound Name2-bromo-1-(cyclopropylmethoxy)-3-methoxybenzene
PubChem CID171373950
Molecular FormulaC11H13BrO2
Molecular Weight257.13 g/mol
Exact Mass256.01
IUPAC Name2-bromo-1-(cyclopropylmethoxy)-3-methoxybenzene
SMILESCOc1cccc(OCC2CC2)c1Br
InChIInChI=1S/C11H13BrO2/c1-13-9-3-2-4-10(11(9)12)14-7-8-5-6-8/h2-4,8H,5-7H2,1H3
InChIKeyXLYZEXPBQMNHTR-UHFFFAOYSA-N
XLogP3.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-bromo-3-(cyclopropylmethoxy)phenyl]-N-methoxymethanamine
CID 117460987
2-[2-bromo-3-(cyclopropylmethoxy)phenyl]acetic acid
CID 117458882
O-[2-[2-bromo-3-(cyclopropylmethoxy)phenyl]ethyl]hydroxylamine
CID 117461107
2-bromo-1-chloro-3-(cyclohexylmethoxy)benzene
CID 156587194
2-amino-1-[2-bromo-3-(cyclopropylmethoxy)phenyl]ethanol
CID 117460851
1-[1-[2-bromo-3-(cyclopropylmethoxy)phenyl]cyclopropyl]ethanamine
CID 117495028
4-[(2-methoxyphenoxy)methyl]piperidine
CID 22248030
[2-(cyclopropylmethoxy)-3-methoxyphenyl]methanol
CID 43560490
N-[[2-(cyclopropylmethoxy)-3-methoxyphenyl]methyl]ethanamine
CID 43560143
2-amino-2-[2-bromo-3-(cyclopropylmethoxy)phenyl]acetic acid
CID 117483105
2-bromo-1-cyclopropyl-3-methoxybenzene
CID 130114065
1-(chloromethyl)-2-(cyclobutylmethoxy)-3-methoxybenzene
CID 65458078

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(cyclopropylmethoxy)-3-methoxybenzene?
The IUPAC name of 2-bromo-1-(cyclopropylmethoxy)-3-methoxybenzene (CID 171373950) is 2-bromo-1-(cyclopropylmethoxy)-3-methoxybenzene.
What is the SMILES notation for 2-bromo-1-(cyclopropylmethoxy)-3-methoxybenzene?
The canonical SMILES for 2-bromo-1-(cyclopropylmethoxy)-3-methoxybenzene is COc1cccc(OCC2CC2)c1Br.
What is the InChIKey of 2-bromo-1-(cyclopropylmethoxy)-3-methoxybenzene?
The InChIKey is XLYZEXPBQMNHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO2/c1-13-9-3-2-4-10(11(9)12)14-7-8-5-6-8/h2-4,8H,5-7H2,1H3.
What are the key properties of 2-bromo-1-(cyclopropylmethoxy)-3-methoxybenzene?
2-bromo-1-(cyclopropylmethoxy)-3-methoxybenzene has a molecular weight of 257.13 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 2-bromo-1-(cyclopropylmethoxy)-3-methoxybenzene is sourced from PubChem (CID 171373950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).