(3-methoxy-5-phenylmethoxyphenyl)boronic acid

C14H15BO4 — CID 102594232

IUPAC(3-methoxy-5-phenylmethoxyphenyl)boronic acid
SMILESCOc1cc(OCc2ccccc2)cc(B(O)O)c1
InChIInChI=1S/C14H15BO4/c1-18-13-7-12(15(16)17)8-14(9-13)19-10-11-5-3-2-4-6-11/h2-9,16-17H,10H2,1H3
InChIKeyWQKHDBBIXQNOIX-UHFFFAOYSA-N
MW258.08 g/mol
LogP0.95
Rot. Bonds5

About (3-methoxy-5-phenylmethoxyphenyl)boronic acid

(3-methoxy-5-phenylmethoxyphenyl)boronic acid (PubChem CID 102594232) has the molecular formula C14H15BO4 and a molecular weight of 258.08 g/mol. Its IUPAC name is (3-methoxy-5-phenylmethoxyphenyl)boronic acid.

Molecular Properties

Compound Name(3-methoxy-5-phenylmethoxyphenyl)boronic acid
PubChem CID102594232
Molecular FormulaC14H15BO4
Molecular Weight258.08 g/mol
Exact Mass258.11
IUPAC Name(3-methoxy-5-phenylmethoxyphenyl)boronic acid
SMILESCOc1cc(OCc2ccccc2)cc(B(O)O)c1
InChIInChI=1S/C14H15BO4/c1-18-13-7-12(15(16)17)8-14(9-13)19-10-11-5-3-2-4-6-11/h2-9,16-17H,10H2,1H3
InChIKeyWQKHDBBIXQNOIX-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-methoxy-5-phenylmethoxyphenyl)methanamine
CID 103565951
3-methoxy-5-phenylmethoxyaniline
CID 12658785
(4-phenylmethoxyphenyl)boronic acid
CID 2734314
(2-methoxy-5-phenylmethoxyphenyl)boronic acid
CID 75537210
[3-[[3-(hydroxymethyl)-5-methoxyphenyl]methoxy]phenyl]boronic acid
CID 123997809
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
4-[(3,5-dimethoxyphenoxy)methyl]benzoic acid
CID 43238029
(3,5-dichloro-4-phenylmethoxyphenyl)boronic acid
CID 4197353
(3,5-dimethoxyphenyl)-(3-phenylmethoxyphenyl)methanol
CID 69204493
[3-fluoro-5-[(4-methylphenyl)methoxy]phenyl]boronic acid
CID 81332002
[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methanol
CID 15385707
4-[(3,5-dimethoxyphenoxy)methyl]aniline
CID 43589819

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-5-phenylmethoxyphenyl)boronic acid?
The IUPAC name of (3-methoxy-5-phenylmethoxyphenyl)boronic acid (CID 102594232) is (3-methoxy-5-phenylmethoxyphenyl)boronic acid.
What is the SMILES notation for (3-methoxy-5-phenylmethoxyphenyl)boronic acid?
The canonical SMILES for (3-methoxy-5-phenylmethoxyphenyl)boronic acid is COc1cc(OCc2ccccc2)cc(B(O)O)c1.
What is the InChIKey of (3-methoxy-5-phenylmethoxyphenyl)boronic acid?
The InChIKey is WQKHDBBIXQNOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BO4/c1-18-13-7-12(15(16)17)8-14(9-13)19-10-11-5-3-2-4-6-11/h2-9,16-17H,10H2,1H3.
What are the key properties of (3-methoxy-5-phenylmethoxyphenyl)boronic acid?
(3-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 (3-methoxy-5-phenylmethoxyphenyl)boronic acid is sourced from PubChem (CID 102594232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).