[5-(hydroxymethyl)-2-methoxyphenoxy]boronic acid

C8H11BO5 — CID 142791148

IUPAC[5-(hydroxymethyl)-2-methoxyphenoxy]boronic acid
SMILESCOc1ccc(CO)cc1OB(O)O
InChIInChI=1S/C8H11BO5/c1-13-7-3-2-6(5-10)4-8(7)14-9(11)12/h2-4,10-12H,5H2,1H3
InChIKeyUHJADBHOFIDQKT-UHFFFAOYSA-N
MW197.98 g/mol
LogP-0.46
Rot. Bonds4

About [5-(hydroxymethyl)-2-methoxyphenoxy]boronic acid

[5-(hydroxymethyl)-2-methoxyphenoxy]boronic acid (PubChem CID 142791148) has the molecular formula C8H11BO5 and a molecular weight of 197.98 g/mol. Its IUPAC name is [5-(hydroxymethyl)-2-methoxyphenoxy]boronic acid.

Molecular Properties

Compound Name[5-(hydroxymethyl)-2-methoxyphenoxy]boronic acid
PubChem CID142791148
Molecular FormulaC8H11BO5
Molecular Weight197.98 g/mol
Exact Mass198.07
IUPAC Name[5-(hydroxymethyl)-2-methoxyphenoxy]boronic acid
SMILESCOc1ccc(CO)cc1OB(O)O
InChIInChI=1S/C8H11BO5/c1-13-7-3-2-6(5-10)4-8(7)14-9(11)12/h2-4,10-12H,5H2,1H3
InChIKeyUHJADBHOFIDQKT-UHFFFAOYSA-N
XLogP-0.46
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.98
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [5-(hydroxymethyl)-2-methoxyphenoxy]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

[3-[5-(hydroxymethyl)-2-methoxyphenyl]-4-methoxyphenyl]methanol
CID 642903
(3-methoxy-4-phosphanyloxyphenyl)methanol
CID 89023367
[4-(hydroxymethyl)-2-methoxyphenyl] formate
CID 134186869
(4-methoxy-3-prop-2-enoxyphenyl)methanol
CID 28562283
[3-[(E)-3-chloroprop-2-enoxy]-4-methoxyphenyl]methanol
CID 28562270
[3-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]methanol
CID 139947952
[4-methoxy-3-(2-methylprop-2-enoxy)phenyl]methanol
CID 28562276
acetic acid;[5-(hydroxymethyl)-2-methoxyphenyl] acetate
CID 71380784
(3-butan-2-yloxy-4-methoxyphenyl)methanol
CID 43209251
(5-formyl-2-methoxyphenoxy)boronic acid
CID 139979594
[3-(3,3-dimethylbutoxy)-4-methoxyphenyl]methanol
CID 54958038
[4-(1-aminopropan-2-yloxy)-3-methoxyphenyl]methanol
CID 107742816

Frequently Asked Questions

What is the IUPAC name of [5-(hydroxymethyl)-2-methoxyphenoxy]boronic acid?
The IUPAC name of [5-(hydroxymethyl)-2-methoxyphenoxy]boronic acid (CID 142791148) is [5-(hydroxymethyl)-2-methoxyphenoxy]boronic acid.
What is the SMILES notation for [5-(hydroxymethyl)-2-methoxyphenoxy]boronic acid?
The canonical SMILES for [5-(hydroxymethyl)-2-methoxyphenoxy]boronic acid is COc1ccc(CO)cc1OB(O)O.
What is the InChIKey of [5-(hydroxymethyl)-2-methoxyphenoxy]boronic acid?
The InChIKey is UHJADBHOFIDQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BO5/c1-13-7-3-2-6(5-10)4-8(7)14-9(11)12/h2-4,10-12H,5H2,1H3.
What are the key properties of [5-(hydroxymethyl)-2-methoxyphenoxy]boronic acid?
[5-(hydroxymethyl)-2-methoxyphenoxy]boronic acid has a molecular weight of 197.98 g/mol, XLogP of -0.46, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(hydroxymethyl)-2-methoxyphenoxy]boronic acid is sourced from PubChem (CID 142791148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).