(4-cyclopentylphenoxy)boronic acid

C11H15BO3 — CID 142780401

IUPAC(4-cyclopentylphenoxy)boronic acid
SMILESOB(O)Oc1ccc(C2CCCC2)cc1
InChIInChI=1S/C11H15BO3/c13-12(14)15-11-7-5-10(6-8-11)9-3-1-2-4-9/h5-9,13-14H,1-4H2
InChIKeyIKSCFTIDAQEDTB-UHFFFAOYSA-N
MW206.05 g/mol
LogP1.69
Rot. Bonds3

About (4-cyclopentylphenoxy)boronic acid

(4-cyclopentylphenoxy)boronic acid (PubChem CID 142780401) has the molecular formula C11H15BO3 and a molecular weight of 206.05 g/mol. Its IUPAC name is (4-cyclopentylphenoxy)boronic acid.

Molecular Properties

Compound Name(4-cyclopentylphenoxy)boronic acid
PubChem CID142780401
Molecular FormulaC11H15BO3
Molecular Weight206.05 g/mol
Exact Mass206.11
IUPAC Name(4-cyclopentylphenoxy)boronic acid
SMILESOB(O)Oc1ccc(C2CCCC2)cc1
InChIInChI=1S/C11H15BO3/c13-12(14)15-11-7-5-10(6-8-11)9-3-1-2-4-9/h5-9,13-14H,1-4H2
InChIKeyIKSCFTIDAQEDTB-UHFFFAOYSA-N
XLogP1.69
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.05
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexyl-4-ethenoxybenzene
CID 67464363
(4-cyclohexylphenyl) dihydrogen phosphite
CID 20525486
(4-cyclopropylphenoxy)-methylperoxyborinic acid
CID 174964148
bromomethane;1-cyclopentyl-4-methoxybenzene
CID 160663013
1-cyclopentyl-4-(4-cyclopentylphenyl)benzene;hydrogen peroxide
CID 175056737
(4-cyclopentylphenyl) ethyl carbonate
CID 152547473
1-cyclohexyl-4-(4-cyclohexylphenyl)benzene;hydrogen peroxide
CID 175051125
2-(4-cyclopentylphenoxy)acetic acid
CID 23274257
1-(chloromethoxy)-4-cyclohexylbenzene
CID 166607753
(4-cyclohexylphenoxy)-dimethylsulfanium
CID 139727859
(4-cyclododecylphenyl) cyanate
CID 142705601
tris[4-(4-propylcyclohexyl)phenyl] borate
CID 140819845

Frequently Asked Questions

What is the IUPAC name of (4-cyclopentylphenoxy)boronic acid?
The IUPAC name of (4-cyclopentylphenoxy)boronic acid (CID 142780401) is (4-cyclopentylphenoxy)boronic acid.
What is the SMILES notation for (4-cyclopentylphenoxy)boronic acid?
The canonical SMILES for (4-cyclopentylphenoxy)boronic acid is OB(O)Oc1ccc(C2CCCC2)cc1.
What is the InChIKey of (4-cyclopentylphenoxy)boronic acid?
The InChIKey is IKSCFTIDAQEDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BO3/c13-12(14)15-11-7-5-10(6-8-11)9-3-1-2-4-9/h5-9,13-14H,1-4H2.
What are the key properties of (4-cyclopentylphenoxy)boronic acid?
(4-cyclopentylphenoxy)boronic acid has a molecular weight of 206.05 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopentylphenoxy)boronic acid is sourced from PubChem (CID 142780401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).