1-bromo-2-cyclobutyloxy-3-methoxybenzene

C11H13BrO2 — CID 84709057

IUPAC1-bromo-2-cyclobutyloxy-3-methoxybenzene
SMILESCOc1cccc(Br)c1OC1CCC1
InChIInChI=1S/C11H13BrO2/c1-13-10-7-3-6-9(12)11(10)14-8-4-2-5-8/h3,6-8H,2,4-5H2,1H3
InChIKeyMHWAOUMHHJVUAJ-UHFFFAOYSA-N
MW257.13 g/mol
LogP3.39
Rot. Bonds3

About 1-bromo-2-cyclobutyloxy-3-methoxybenzene

1-bromo-2-cyclobutyloxy-3-methoxybenzene (PubChem CID 84709057) has the molecular formula C11H13BrO2 and a molecular weight of 257.13 g/mol. Its IUPAC name is 1-bromo-2-cyclobutyloxy-3-methoxybenzene.

Molecular Properties

Compound Name1-bromo-2-cyclobutyloxy-3-methoxybenzene
PubChem CID84709057
Molecular FormulaC11H13BrO2
Molecular Weight257.13 g/mol
Exact Mass256.01
IUPAC Name1-bromo-2-cyclobutyloxy-3-methoxybenzene
SMILESCOc1cccc(Br)c1OC1CCC1
InChIInChI=1S/C11H13BrO2/c1-13-10-7-3-6-9(12)11(10)14-8-4-2-5-8/h3,6-8H,2,4-5H2,1H3
InChIKeyMHWAOUMHHJVUAJ-UHFFFAOYSA-N
XLogP3.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-bromo-6-methoxyphenoxy)cyclobutan-1-ol
CID 83134535
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2-cyclopentyloxy-1-ethyl-3-methoxybenzene
CID 90711986
2-cyclopentyloxy-3-methoxybenzonitrile
CID 117309455
(2-cyclopentyloxy-3-methoxyphenyl)methanamine
CID 43471488
methyl 2-cyclopentyloxy-3-methoxybenzoate
CID 117054108
4-[(2-cyclobutyloxy-3-methoxyphenyl)methyl]piperidine
CID 117441033
O-[2-(2-cyclobutyloxy-3-methoxyphenyl)ethyl]hydroxylamine
CID 117347185
2-(2-cyclobutyloxy-3-methoxyphenyl)propan-1-amine
CID 117343383
(NE)-N-[(2-cyclopentyloxy-3-methoxyphenyl)methylidene]hydroxylamine
CID 87204181
[1-(2-cyclobutyloxy-3-methoxyphenyl)cyclobutyl]methanamine
CID 117408015
(E)-3-(2-cyclobutyloxy-3-methoxyphenyl)prop-2-en-1-amine
CID 117338371

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-cyclobutyloxy-3-methoxybenzene?
The IUPAC name of 1-bromo-2-cyclobutyloxy-3-methoxybenzene (CID 84709057) is 1-bromo-2-cyclobutyloxy-3-methoxybenzene.
What is the SMILES notation for 1-bromo-2-cyclobutyloxy-3-methoxybenzene?
The canonical SMILES for 1-bromo-2-cyclobutyloxy-3-methoxybenzene is COc1cccc(Br)c1OC1CCC1.
What is the InChIKey of 1-bromo-2-cyclobutyloxy-3-methoxybenzene?
The InChIKey is MHWAOUMHHJVUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO2/c1-13-10-7-3-6-9(12)11(10)14-8-4-2-5-8/h3,6-8H,2,4-5H2,1H3.
What are the key properties of 1-bromo-2-cyclobutyloxy-3-methoxybenzene?
1-bromo-2-cyclobutyloxy-3-methoxybenzene has a molecular weight of 257.13 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-cyclobutyloxy-3-methoxybenzene is sourced from PubChem (CID 84709057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).