[4-[3-(oxolan-2-yl)propoxy]phenyl]boronic acid

C13H19BO4 — CID 65163245

IUPAC[4-[3-(oxolan-2-yl)propoxy]phenyl]boronic acid
SMILESOB(O)c1ccc(OCCCC2CCCO2)cc1
InChIInChI=1S/C13H19BO4/c15-14(16)11-5-7-13(8-6-11)18-10-2-4-12-3-1-9-17-12/h5-8,12,15-16H,1-4,9-10H2
InChIKeyMXXMITCHDSSSQL-UHFFFAOYSA-N
MW250.10 g/mol
LogP0.70
Rot. Bonds6

About [4-[3-(oxolan-2-yl)propoxy]phenyl]boronic acid

[4-[3-(oxolan-2-yl)propoxy]phenyl]boronic acid (PubChem CID 65163245) has the molecular formula C13H19BO4 and a molecular weight of 250.10 g/mol. Its IUPAC name is [4-[3-(oxolan-2-yl)propoxy]phenyl]boronic acid.

Molecular Properties

Compound Name[4-[3-(oxolan-2-yl)propoxy]phenyl]boronic acid
PubChem CID65163245
Molecular FormulaC13H19BO4
Molecular Weight250.10 g/mol
Exact Mass250.14
IUPAC Name[4-[3-(oxolan-2-yl)propoxy]phenyl]boronic acid
SMILESOB(O)c1ccc(OCCCC2CCCO2)cc1
InChIInChI=1S/C13H19BO4/c15-14(16)11-5-7-13(8-6-11)18-10-2-4-12-3-1-9-17-12/h5-8,12,15-16H,1-4,9-10H2
InChIKeyMXXMITCHDSSSQL-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 [4-[3-(oxolan-2-yl)propoxy]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

[4-[2-(oxolan-2-ylmethylsulfanyl)ethoxy]phenyl]boronic acid
CID 106495379
4-[3-(oxolan-2-yl)propoxy]aniline
CID 65158811
2-[3-(4-tert-butylphenoxy)propyl]oxolane
CID 65170270
methyl 4-[3-(oxolan-2-yl)propoxy]benzoate
CID 65158529
N'-hydroxy-2-[4-[3-(oxolan-2-yl)propoxy]phenyl]ethanimidamide
CID 77057892
2-[2-(4-bromophenoxy)ethyl]oxolane
CID 65161274
2-methyl-4-[3-(oxolan-2-yl)propoxy]benzoic acid
CID 107671293
2-methyl-N-[[4-[3-(oxolan-2-yl)propoxy]phenyl]methyl]propan-1-amine
CID 65158401
N'-hydroxy-4-[2-(oxolan-2-yl)ethoxy]benzenecarboximidamide
CID 77057898
[4-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]methanol
CID 65162887
(1R)-1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 79004698
3-(oxolan-2-yl)-1-(4-propoxyphenyl)propan-1-ol
CID 65162391

Frequently Asked Questions

What is the IUPAC name of [4-[3-(oxolan-2-yl)propoxy]phenyl]boronic acid?
The IUPAC name of [4-[3-(oxolan-2-yl)propoxy]phenyl]boronic acid (CID 65163245) is [4-[3-(oxolan-2-yl)propoxy]phenyl]boronic acid.
What is the SMILES notation for [4-[3-(oxolan-2-yl)propoxy]phenyl]boronic acid?
The canonical SMILES for [4-[3-(oxolan-2-yl)propoxy]phenyl]boronic acid is OB(O)c1ccc(OCCCC2CCCO2)cc1.
What is the InChIKey of [4-[3-(oxolan-2-yl)propoxy]phenyl]boronic acid?
The InChIKey is MXXMITCHDSSSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BO4/c15-14(16)11-5-7-13(8-6-11)18-10-2-4-12-3-1-9-17-12/h5-8,12,15-16H,1-4,9-10H2.
What are the key properties of [4-[3-(oxolan-2-yl)propoxy]phenyl]boronic acid?
[4-[3-(oxolan-2-yl)propoxy]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 [4-[3-(oxolan-2-yl)propoxy]phenyl]boronic acid is sourced from PubChem (CID 65163245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).