(2-methoxy-5-phenylmethoxyphenyl)boronic acid

C14H15BO4 — CID 75537210

IUPAC(2-methoxy-5-phenylmethoxyphenyl)boronic acid
SMILESCOc1ccc(OCc2ccccc2)cc1B(O)O
InChIInChI=1S/C14H15BO4/c1-18-14-8-7-12(9-13(14)15(16)17)19-10-11-5-3-2-4-6-11/h2-9,16-17H,10H2,1H3
InChIKeyGUYRCVKLFXWSDJ-UHFFFAOYSA-N
MW258.08 g/mol
LogP0.95
Rot. Bonds5

About (2-methoxy-5-phenylmethoxyphenyl)boronic acid

(2-methoxy-5-phenylmethoxyphenyl)boronic acid (PubChem CID 75537210) has the molecular formula C14H15BO4 and a molecular weight of 258.08 g/mol. Its IUPAC name is (2-methoxy-5-phenylmethoxyphenyl)boronic acid.

Molecular Properties

Compound Name(2-methoxy-5-phenylmethoxyphenyl)boronic acid
PubChem CID75537210
Molecular FormulaC14H15BO4
Molecular Weight258.08 g/mol
Exact Mass258.11
IUPAC Name(2-methoxy-5-phenylmethoxyphenyl)boronic acid
SMILESCOc1ccc(OCc2ccccc2)cc1B(O)O
InChIInChI=1S/C14H15BO4/c1-18-14-8-7-12(9-13(14)15(16)17)19-10-11-5-3-2-4-6-11/h2-9,16-17H,10H2,1H3
InChIKeyGUYRCVKLFXWSDJ-UHFFFAOYSA-N
XLogP0.95
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.08
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-(3-borono-6-methoxy-2-phenylmethoxyphenyl)-4-methoxy-2-phenylmethoxyphenyl]boronic acid
CID 132839010
CID 123516675
CID 123516675
(2-methyl-4-phenylmethoxyphenoxy)boronic acid
CID 142688338
7-methoxy-8-(2-methoxy-7-phenylmethoxynaphthalen-1-yl)naphthalen-2-ol
CID 15626894
(3-methoxy-5-phenylmethoxyphenyl)boronic acid
CID 102594232
1-ethyl-2-methoxy-4-phenylmethoxybenzene
CID 130330824
(5-fluoro-3-methoxy-2-phenylmethoxyphenyl)boronic acid
CID 164896021
(E)-3-(2-methoxy-5-phenylmethoxyphenyl)prop-2-enoic acid
CID 11414899
ethyl 2-methoxy-4-phenylmethoxybenzoate
CID 162133718
2,5-Dimethoxyphenylboronic acid boronic acid
CID 67486333
(4-phenylmethoxyphenyl)boronic acid
CID 2734314
(2-phenylmethoxy-5-propan-2-ylphenyl)boronic acid
CID 163353622

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-5-phenylmethoxyphenyl)boronic acid?
The IUPAC name of (2-methoxy-5-phenylmethoxyphenyl)boronic acid (CID 75537210) is (2-methoxy-5-phenylmethoxyphenyl)boronic acid.
What is the SMILES notation for (2-methoxy-5-phenylmethoxyphenyl)boronic acid?
The canonical SMILES for (2-methoxy-5-phenylmethoxyphenyl)boronic acid is COc1ccc(OCc2ccccc2)cc1B(O)O.
What is the InChIKey of (2-methoxy-5-phenylmethoxyphenyl)boronic acid?
The InChIKey is GUYRCVKLFXWSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BO4/c1-18-14-8-7-12(9-13(14)15(16)17)19-10-11-5-3-2-4-6-11/h2-9,16-17H,10H2,1H3.
What are the key properties of (2-methoxy-5-phenylmethoxyphenyl)boronic acid?
(2-methoxy-5-phenylmethoxyphenyl)boronic acid has a molecular weight of 258.08 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-5-phenylmethoxyphenyl)boronic acid is sourced from PubChem (CID 75537210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).