[4-(2-phenylmethoxyethoxy)phenyl]boronic acid

C15H17BO4 — CID 23134166

IUPAC[4-(2-phenylmethoxyethoxy)phenyl]boronic acid
SMILESOB(O)c1ccc(OCCOCc2ccccc2)cc1
InChIInChI=1S/C15H17BO4/c17-16(18)14-6-8-15(9-7-14)20-11-10-19-12-13-4-2-1-3-5-13/h1-9,17-18H,10-12H2
InChIKeyDGINCKNPCLXVJX-UHFFFAOYSA-N
MW272.11 g/mol
LogP0.96
Rot. Bonds7

About [4-(2-phenylmethoxyethoxy)phenyl]boronic acid

[4-(2-phenylmethoxyethoxy)phenyl]boronic acid (PubChem CID 23134166) has the molecular formula C15H17BO4 and a molecular weight of 272.11 g/mol. Its IUPAC name is [4-(2-phenylmethoxyethoxy)phenyl]boronic acid.

Molecular Properties

Compound Name[4-(2-phenylmethoxyethoxy)phenyl]boronic acid
PubChem CID23134166
Molecular FormulaC15H17BO4
Molecular Weight272.11 g/mol
Exact Mass272.12
IUPAC Name[4-(2-phenylmethoxyethoxy)phenyl]boronic acid
SMILESOB(O)c1ccc(OCCOCc2ccccc2)cc1
InChIInChI=1S/C15H17BO4/c17-16(18)14-6-8-15(9-7-14)20-11-10-19-12-13-4-2-1-3-5-13/h1-9,17-18H,10-12H2
InChIKeyDGINCKNPCLXVJX-UHFFFAOYSA-N
XLogP0.96
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.11
LogP ≤ 50.96
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'}

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Related Compounds

(4-phenylmethoxyphenyl)boronic acid
CID 2734314
1,4-bis(2-phenoxyethoxymethyl)benzene
CID 19801574
4-(2-phenylmethoxyethoxy)benzoic acid
CID 43532261
[4-[(4-boronophenoxy)methyl]phenyl]boronic acid
CID 58343824
[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]boronic acid
CID 54971073
[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]boronic acid
CID 101488478
1-fluoro-3-(2-phenylmethoxyethoxy)benzene
CID 71345378
1-[(Z)-1,2-diphenylbut-1-enyl]-4-(2-phenylmethoxyethoxy)benzene
CID 121473019
[4-(2-bromoethoxymethyl)phenyl]boronic acid
CID 119083702
1-(2-phenylmethoxyethoxy)-4-(2,4,4-trimethylpentan-2-yl)benzene
CID 58676284
[4-(3-chloropropoxy)phenyl]boronic acid
CID 67281130
9,10-bis(2-phenylmethoxyethoxy)anthracene
CID 139845395

Frequently Asked Questions

What is the IUPAC name of [4-(2-phenylmethoxyethoxy)phenyl]boronic acid?
The IUPAC name of [4-(2-phenylmethoxyethoxy)phenyl]boronic acid (CID 23134166) is [4-(2-phenylmethoxyethoxy)phenyl]boronic acid.
What is the SMILES notation for [4-(2-phenylmethoxyethoxy)phenyl]boronic acid?
The canonical SMILES for [4-(2-phenylmethoxyethoxy)phenyl]boronic acid is OB(O)c1ccc(OCCOCc2ccccc2)cc1.
What is the InChIKey of [4-(2-phenylmethoxyethoxy)phenyl]boronic acid?
The InChIKey is DGINCKNPCLXVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BO4/c17-16(18)14-6-8-15(9-7-14)20-11-10-19-12-13-4-2-1-3-5-13/h1-9,17-18H,10-12H2.
What are the key properties of [4-(2-phenylmethoxyethoxy)phenyl]boronic acid?
[4-(2-phenylmethoxyethoxy)phenyl]boronic acid has a molecular weight of 272.11 g/mol, XLogP of 0.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-phenylmethoxyethoxy)phenyl]boronic acid is sourced from PubChem (CID 23134166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).