3-bromo-4-cyclopentyloxyphenol

C11H13BrO2 — CID 68761541

IUPAC3-bromo-4-cyclopentyloxyphenol
SMILESOc1ccc(OC2CCCC2)c(Br)c1
InChIInChI=1S/C11H13BrO2/c12-10-7-8(13)5-6-11(10)14-9-3-1-2-4-9/h5-7,9,13H,1-4H2
InChIKeyCTUVZMGGBCVGBD-UHFFFAOYSA-N
MW257.13 g/mol
LogP3.48
Rot. Bonds2

About 3-bromo-4-cyclopentyloxyphenol

3-bromo-4-cyclopentyloxyphenol (PubChem CID 68761541) has the molecular formula C11H13BrO2 and a molecular weight of 257.13 g/mol. Its IUPAC name is 3-bromo-4-cyclopentyloxyphenol.

Molecular Properties

Compound Name3-bromo-4-cyclopentyloxyphenol
PubChem CID68761541
Molecular FormulaC11H13BrO2
Molecular Weight257.13 g/mol
Exact Mass256.01
IUPAC Name3-bromo-4-cyclopentyloxyphenol
SMILESOc1ccc(OC2CCCC2)c(Br)c1
InChIInChI=1S/C11H13BrO2/c12-10-7-8(13)5-6-11(10)14-9-3-1-2-4-9/h5-7,9,13H,1-4H2
InChIKeyCTUVZMGGBCVGBD-UHFFFAOYSA-N
XLogP3.48
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-4-cyclopentyloxyphenyl)methanol
CID 63051302
2-bromo-1-cyclobutyloxy-4-methylbenzene
CID 84702402
2-bromo-4-(bromomethyl)-1-cyclohexyloxybenzene
CID 63535060
N-[(3-bromo-4-cyclopentyloxyphenyl)methyl]ethanamine
CID 63045514
(1R)-1-(3-bromo-4-cyclopentyloxyphenyl)ethanamine
CID 78937703
2,5-dicyclohexyloxyphenol
CID 139941916
3-bromo-4-cyclobutyloxy-N'-hydroxybenzenecarboximidamide
CID 82800147
methyl 3-bromo-4-cyclobutyloxybenzoate
CID 18782514
1-(3-bromo-4-cyclobutyloxyphenyl)cyclopropane-1-carboxylic acid
CID 117495952
3-[2-bromo-4-[2-[3-bromo-4-(3-hydroxycyclohexyl)oxyphenyl]propan-2-yl]phenoxy]cyclohexan-1-ol
CID 176584512
4-cyclopropyloxy-3-methoxyphenol
CID 84657279
1-(3-bromo-4-cyclobutyloxyphenyl)cyclopentan-1-amine
CID 117495005

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-cyclopentyloxyphenol?
The IUPAC name of 3-bromo-4-cyclopentyloxyphenol (CID 68761541) is 3-bromo-4-cyclopentyloxyphenol.
What is the SMILES notation for 3-bromo-4-cyclopentyloxyphenol?
The canonical SMILES for 3-bromo-4-cyclopentyloxyphenol is Oc1ccc(OC2CCCC2)c(Br)c1.
What is the InChIKey of 3-bromo-4-cyclopentyloxyphenol?
The InChIKey is CTUVZMGGBCVGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO2/c12-10-7-8(13)5-6-11(10)14-9-3-1-2-4-9/h5-7,9,13H,1-4H2.
What are the key properties of 3-bromo-4-cyclopentyloxyphenol?
3-bromo-4-cyclopentyloxyphenol has a molecular weight of 257.13 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-cyclopentyloxyphenol is sourced from PubChem (CID 68761541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).