bromo 4-cyclobutyloxybenzoate

C11H11BrO3 — CID 70345059

IUPACbromo 4-cyclobutyloxybenzoate
SMILESO=C(OBr)c1ccc(OC2CCC2)cc1
InChIInChI=1S/C11H11BrO3/c12-15-11(13)8-4-6-10(7-5-8)14-9-2-1-3-9/h4-7,9H,1-3H2
InChIKeyQBPFQSGPKHCYFI-UHFFFAOYSA-N
MW271.11 g/mol
LogP3.08
Rot. Bonds3

About bromo 4-cyclobutyloxybenzoate

bromo 4-cyclobutyloxybenzoate (PubChem CID 70345059) has the molecular formula C11H11BrO3 and a molecular weight of 271.11 g/mol. Its IUPAC name is bromo 4-cyclobutyloxybenzoate.

Molecular Properties

Compound Namebromo 4-cyclobutyloxybenzoate
PubChem CID70345059
Molecular FormulaC11H11BrO3
Molecular Weight271.11 g/mol
Exact Mass269.99
IUPAC Namebromo 4-cyclobutyloxybenzoate
SMILESO=C(OBr)c1ccc(OC2CCC2)cc1
InChIInChI=1S/C11H11BrO3/c12-15-11(13)8-4-6-10(7-5-8)14-9-2-1-3-9/h4-7,9H,1-3H2
InChIKeyQBPFQSGPKHCYFI-UHFFFAOYSA-N
XLogP3.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-cycloheptyloxybenzamide
CID 141109251
4-(4-cyclohexyloxyphenyl)benzoic acid
CID 23005106
7-bicyclo[4.1.0]heptanyl-(4-cyclopropyloxyphenyl)methanone
CID 115812900
2-amino-1-(4-cyclopentyloxyphenyl)propan-1-one
CID 82290159
methyl 4-piperidin-3-yloxybenzoate
CID 53410618
methyl 4-piperidin-4-yloxybenzoate;hydrochloride
CID 53410621
ethyl 4-(4-aminocyclohexyl)oxybenzoate
CID 16756169
1-[4-(oxan-4-yloxy)phenyl]ethanone
CID 61288786
1-bromo-4-cyclopentyloxybenzene
CID 22599958
2-(cyclopentylamino)-1-(4-cyclopropyloxyphenyl)ethanone
CID 114520577
methyl 4-[5-(4-cyclohexyloxyphenyl)-1,3,4-thiadiazol-2-yl]benzoate
CID 20655660
4-cyclohexyloxy-N-(2-hydroxypropyl)benzamide
CID 110466236

Frequently Asked Questions

What is the IUPAC name of bromo 4-cyclobutyloxybenzoate?
The IUPAC name of bromo 4-cyclobutyloxybenzoate (CID 70345059) is bromo 4-cyclobutyloxybenzoate.
What is the SMILES notation for bromo 4-cyclobutyloxybenzoate?
The canonical SMILES for bromo 4-cyclobutyloxybenzoate is O=C(OBr)c1ccc(OC2CCC2)cc1.
What is the InChIKey of bromo 4-cyclobutyloxybenzoate?
The InChIKey is QBPFQSGPKHCYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrO3/c12-15-11(13)8-4-6-10(7-5-8)14-9-2-1-3-9/h4-7,9H,1-3H2.
What are the key properties of bromo 4-cyclobutyloxybenzoate?
bromo 4-cyclobutyloxybenzoate has a molecular weight of 271.11 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bromo 4-cyclobutyloxybenzoate is sourced from PubChem (CID 70345059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).