3-(2-bromo-6-methoxyphenoxy)cyclobutan-1-ol

C11H13BrO3 — CID 83134535

IUPAC3-(2-bromo-6-methoxyphenoxy)cyclobutan-1-ol
SMILESCOc1cccc(Br)c1OC1CC(O)C1
InChIInChI=1S/C11H13BrO3/c1-14-10-4-2-3-9(12)11(10)15-8-5-7(13)6-8/h2-4,7-8,13H,5-6H2,1H3
InChIKeyRWDNSVDZCISGNS-UHFFFAOYSA-N
MW273.13 g/mol
LogP2.36
Rot. Bonds3

About 3-(2-bromo-6-methoxyphenoxy)cyclobutan-1-ol

3-(2-bromo-6-methoxyphenoxy)cyclobutan-1-ol (PubChem CID 83134535) has the molecular formula C11H13BrO3 and a molecular weight of 273.13 g/mol. Its IUPAC name is 3-(2-bromo-6-methoxyphenoxy)cyclobutan-1-ol.

Molecular Properties

Compound Name3-(2-bromo-6-methoxyphenoxy)cyclobutan-1-ol
PubChem CID83134535
Molecular FormulaC11H13BrO3
Molecular Weight273.13 g/mol
Exact Mass272.00
IUPAC Name3-(2-bromo-6-methoxyphenoxy)cyclobutan-1-ol
SMILESCOc1cccc(Br)c1OC1CC(O)C1
InChIInChI=1S/C11H13BrO3/c1-14-10-4-2-3-9(12)11(10)15-8-5-7(13)6-8/h2-4,7-8,13H,5-6H2,1H3
InChIKeyRWDNSVDZCISGNS-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-bromo-2-cyclobutyloxy-3-methoxybenzene
CID 84709057
3-(2,6-dimethoxyphenoxy)cyclobutan-1-amine
CID 66356674
1,3-dibromo-2-(3-chlorocyclobutyl)oxybenzene
CID 66345084
3-(2-bromo-6-methoxyphenoxy)spiro[3.5]nonan-1-amine
CID 83135242
3-(2,6-dimethoxyphenoxy)-2-methoxycyclobutan-1-ol
CID 104673541
1,2-dibromo-3-methoxybenzene
CID 11958056
1-(2-bromo-6-methoxyphenoxy)spiro[3.5]nonan-3-one
CID 83134773
3-(2-bromo-6-methoxyphenoxy)-N-ethyl-2-propoxycyclobutan-1-amine
CID 107943835
1-bromo-3-methyl-2-[(1R,3S)-3-methylcyclopentyl]oxybenzene
CID 170070358
5-(2-bromo-6-methoxyphenoxy)pentane-1-thiol
CID 83134542
3-(2-ethylphenoxy)cyclobutan-1-ol
CID 66366906
1-bromo-3-methoxy-2-methylbenzene
CID 18505255

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-6-methoxyphenoxy)cyclobutan-1-ol?
The IUPAC name of 3-(2-bromo-6-methoxyphenoxy)cyclobutan-1-ol (CID 83134535) is 3-(2-bromo-6-methoxyphenoxy)cyclobutan-1-ol.
What is the SMILES notation for 3-(2-bromo-6-methoxyphenoxy)cyclobutan-1-ol?
The canonical SMILES for 3-(2-bromo-6-methoxyphenoxy)cyclobutan-1-ol is COc1cccc(Br)c1OC1CC(O)C1.
What is the InChIKey of 3-(2-bromo-6-methoxyphenoxy)cyclobutan-1-ol?
The InChIKey is RWDNSVDZCISGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO3/c1-14-10-4-2-3-9(12)11(10)15-8-5-7(13)6-8/h2-4,7-8,13H,5-6H2,1H3.
What are the key properties of 3-(2-bromo-6-methoxyphenoxy)cyclobutan-1-ol?
3-(2-bromo-6-methoxyphenoxy)cyclobutan-1-ol has a molecular weight of 273.13 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-6-methoxyphenoxy)cyclobutan-1-ol is sourced from PubChem (CID 83134535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).