5-bromo-2-cyclobutyloxy-3-methoxyphenol

C11H13BrO3 — CID 84713521

IUPAC5-bromo-2-cyclobutyloxy-3-methoxyphenol
SMILESCOc1cc(Br)cc(O)c1OC1CCC1
InChIInChI=1S/C11H13BrO3/c1-14-10-6-7(12)5-9(13)11(10)15-8-3-2-4-8/h5-6,8,13H,2-4H2,1H3
InChIKeyVUYWCPQNYKIVHE-UHFFFAOYSA-N
MW273.13 g/mol
LogP3.09
Rot. Bonds3

About 5-bromo-2-cyclobutyloxy-3-methoxyphenol

5-bromo-2-cyclobutyloxy-3-methoxyphenol (PubChem CID 84713521) has the molecular formula C11H13BrO3 and a molecular weight of 273.13 g/mol. Its IUPAC name is 5-bromo-2-cyclobutyloxy-3-methoxyphenol.

Molecular Properties

Compound Name5-bromo-2-cyclobutyloxy-3-methoxyphenol
PubChem CID84713521
Molecular FormulaC11H13BrO3
Molecular Weight273.13 g/mol
Exact Mass272.00
IUPAC Name5-bromo-2-cyclobutyloxy-3-methoxyphenol
SMILESCOc1cc(Br)cc(O)c1OC1CCC1
InChIInChI=1S/C11H13BrO3/c1-14-10-6-7(12)5-9(13)11(10)15-8-3-2-4-8/h5-6,8,13H,2-4H2,1H3
InChIKeyVUYWCPQNYKIVHE-UHFFFAOYSA-N
XLogP3.09
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-cyclobutyloxy-3-methoxyphenol
CID 84692205
2-amino-1-(5-bromo-2-cyclobutyloxy-3-methoxyphenyl)ethanone
CID 117499384
1-bromo-2-cyclobutyloxy-3-methoxybenzene
CID 84709057
3-chloro-4-cyclopentyloxy-5-methoxyphenol
CID 84703480
3-(5-bromo-2-cyclopropyloxy-3-methoxyphenyl)propan-1-amine
CID 117483705
O-[2-(5-bromo-2-cyclopropyloxy-3-methoxyphenyl)ethyl]hydroxylamine
CID 117486423
5-bromo-3-methoxy-2-(oxan-4-yloxy)benzonitrile
CID 67114576
[1-(5-bromo-2-cyclopropyloxy-3-methoxyphenyl)cyclopropyl]methanamine
CID 117497040
5-bromo-3-methoxy-2-propan-2-ylphenol
CID 84704901
3-cyclopentyloxy-2-fluoro-4-methoxyphenol
CID 125116751
2-amino-5-bromo-3-methoxyphenol
CID 131595418
3-(5-bromo-2-cyclopropyloxy-3-methoxyphenyl)butanal
CID 117498254

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-cyclobutyloxy-3-methoxyphenol?
The IUPAC name of 5-bromo-2-cyclobutyloxy-3-methoxyphenol (CID 84713521) is 5-bromo-2-cyclobutyloxy-3-methoxyphenol.
What is the SMILES notation for 5-bromo-2-cyclobutyloxy-3-methoxyphenol?
The canonical SMILES for 5-bromo-2-cyclobutyloxy-3-methoxyphenol is COc1cc(Br)cc(O)c1OC1CCC1.
What is the InChIKey of 5-bromo-2-cyclobutyloxy-3-methoxyphenol?
The InChIKey is VUYWCPQNYKIVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO3/c1-14-10-6-7(12)5-9(13)11(10)15-8-3-2-4-8/h5-6,8,13H,2-4H2,1H3.
What are the key properties of 5-bromo-2-cyclobutyloxy-3-methoxyphenol?
5-bromo-2-cyclobutyloxy-3-methoxyphenol has a molecular weight of 273.13 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-cyclobutyloxy-3-methoxyphenol is sourced from PubChem (CID 84713521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).