[3-(2-cyclopentyloxyethoxy)phenyl]boronic acid

C13H19BO4 — CID 54971026

IUPAC[3-(2-cyclopentyloxyethoxy)phenyl]boronic acid
SMILESOB(O)c1cccc(OCCOC2CCCC2)c1
InChIInChI=1S/C13H19BO4/c15-14(16)11-4-3-7-13(10-11)18-9-8-17-12-5-1-2-6-12/h3-4,7,10,12,15-16H,1-2,5-6,8-9H2
InChIKeyUTTKZUWLCZTUPS-UHFFFAOYSA-N
MW250.10 g/mol
LogP0.70
Rot. Bonds6

About [3-(2-cyclopentyloxyethoxy)phenyl]boronic acid

[3-(2-cyclopentyloxyethoxy)phenyl]boronic acid (PubChem CID 54971026) has the molecular formula C13H19BO4 and a molecular weight of 250.10 g/mol. Its IUPAC name is [3-(2-cyclopentyloxyethoxy)phenyl]boronic acid.

Molecular Properties

Compound Name[3-(2-cyclopentyloxyethoxy)phenyl]boronic acid
PubChem CID54971026
Molecular FormulaC13H19BO4
Molecular Weight250.10 g/mol
Exact Mass250.14
IUPAC Name[3-(2-cyclopentyloxyethoxy)phenyl]boronic acid
SMILESOB(O)c1cccc(OCCOC2CCCC2)c1
InChIInChI=1S/C13H19BO4/c15-14(16)11-4-3-7-13(10-11)18-9-8-17-12-5-1-2-6-12/h3-4,7,10,12,15-16H,1-2,5-6,8-9H2
InChIKeyUTTKZUWLCZTUPS-UHFFFAOYSA-N
XLogP0.70
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.10
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [3-(2-cyclopentyloxyethoxy)phenyl]boronic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-[2-(cycloheptylmethoxy)ethoxy]phenyl]boronic acid
CID 114248720
[3-[2-(cyclohexylmethoxy)ethoxy]phenyl]boronic acid
CID 62383023
[3-[2-(cyclopropylmethoxy)ethoxy]phenyl]boronic acid
CID 54970934
3-(2-cyclohexyloxyethoxy)benzenecarbothioamide
CID 43291051
[3-(cyclohexyloxymethyl)phenyl]boronic acid
CID 53211400
[3-[2-[cyclopropyl(methyl)amino]ethoxy]phenyl]boronic acid
CID 54971054
(3-hexoxyphenyl)boronic acid
CID 43145336
[3-[2-(2-methylpropoxy)ethoxy]phenyl]boronic acid
CID 54970593
[3-[2-(2-propylpiperidin-1-yl)ethoxy]phenyl]boronic acid
CID 83044828
[3-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]phenyl]boronic acid
CID 79183713
3-(3-cyclopentyloxypropoxy)benzonitrile
CID 43289282
[3-(3-cyclohexyloxypropoxy)phenyl]methanamine
CID 43253956

Frequently Asked Questions

What is the IUPAC name of [3-(2-cyclopentyloxyethoxy)phenyl]boronic acid?
The IUPAC name of [3-(2-cyclopentyloxyethoxy)phenyl]boronic acid (CID 54971026) is [3-(2-cyclopentyloxyethoxy)phenyl]boronic acid.
What is the SMILES notation for [3-(2-cyclopentyloxyethoxy)phenyl]boronic acid?
The canonical SMILES for [3-(2-cyclopentyloxyethoxy)phenyl]boronic acid is OB(O)c1cccc(OCCOC2CCCC2)c1.
What is the InChIKey of [3-(2-cyclopentyloxyethoxy)phenyl]boronic acid?
The InChIKey is UTTKZUWLCZTUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BO4/c15-14(16)11-4-3-7-13(10-11)18-9-8-17-12-5-1-2-6-12/h3-4,7,10,12,15-16H,1-2,5-6,8-9H2.
What are the key properties of [3-(2-cyclopentyloxyethoxy)phenyl]boronic acid?
[3-(2-cyclopentyloxyethoxy)phenyl]boronic acid has a molecular weight of 250.10 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-cyclopentyloxyethoxy)phenyl]boronic acid is sourced from PubChem (CID 54971026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).