(4-phenylmethoxyphenyl)boronic acid

C13H13BO3 — CID 2734314

IUPAC(4-phenylmethoxyphenyl)boronic acid
SMILESOB(O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C13H13BO3/c15-14(16)12-6-8-13(9-7-12)17-10-11-4-2-1-3-5-11/h1-9,15-16H,10H2
InChIKeyDMJHEIDWSIAXCS-UHFFFAOYSA-N
MW228.06 g/mol
LogP0.95
Rot. Bonds4

About (4-phenylmethoxyphenyl)boronic acid

(4-phenylmethoxyphenyl)boronic acid (PubChem CID 2734314) has the molecular formula C13H13BO3 and a molecular weight of 228.06 g/mol. Its IUPAC name is (4-phenylmethoxyphenyl)boronic acid.

Molecular Properties

Compound Name(4-phenylmethoxyphenyl)boronic acid
PubChem CID2734314
Molecular FormulaC13H13BO3
Molecular Weight228.06 g/mol
Exact Mass228.10
IUPAC Name(4-phenylmethoxyphenyl)boronic acid
SMILESOB(O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C13H13BO3/c15-14(16)12-6-8-13(9-7-12)17-10-11-4-2-1-3-5-11/h1-9,15-16H,10H2
InChIKeyDMJHEIDWSIAXCS-UHFFFAOYSA-N
XLogP0.95
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.06
LogP ≤ 50.95
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

[4-[(4-boronophenoxy)methyl]phenyl]boronic acid
CID 58343824
[4-(2-phenylmethoxyethoxy)phenyl]boronic acid
CID 23134166
[2-(4-phenylmethoxyphenyl)pyrimidin-5-yl]boronic acid
CID 22446906
(3-methoxy-5-phenylmethoxyphenyl)boronic acid
CID 102594232
1-(benzylperoxymethyl)-4-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]benzene
CID 156694250
[4-[(4-octoxyphenoxy)methyl]phenyl]boronic acid
CID 102519710
(4-phenylmethoxyphenyl) hypobromite
CID 151898979
1-phenylmethoxy-4-[9-(4-phenylmethoxyphenoxy)nonoxy]benzene
CID 43835980
4-phenylmethoxyaniline
CID 159966727
4-phenylmethoxybenzoic acid
CID 68896574
1,3-bis(4-phenylmethoxyphenoxy)propan-2-ol
CID 3030941
dichloromethyl-(4-phenylmethoxyphenyl)silane
CID 123524491

Frequently Asked Questions

What is the IUPAC name of (4-phenylmethoxyphenyl)boronic acid?
The IUPAC name of (4-phenylmethoxyphenyl)boronic acid (CID 2734314) is (4-phenylmethoxyphenyl)boronic acid.
What is the SMILES notation for (4-phenylmethoxyphenyl)boronic acid?
The canonical SMILES for (4-phenylmethoxyphenyl)boronic acid is OB(O)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of (4-phenylmethoxyphenyl)boronic acid?
The InChIKey is DMJHEIDWSIAXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BO3/c15-14(16)12-6-8-13(9-7-12)17-10-11-4-2-1-3-5-11/h1-9,15-16H,10H2.
What are the key properties of (4-phenylmethoxyphenyl)boronic acid?
(4-phenylmethoxyphenyl)boronic acid has a molecular weight of 228.06 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylmethoxyphenyl)boronic acid is sourced from PubChem (CID 2734314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).