(5-formyl-2-methoxyphenoxy)boronic acid

C8H9BO5 — CID 139979594

IUPAC(5-formyl-2-methoxyphenoxy)boronic acid
SMILESCOc1ccc(C=O)cc1OB(O)O
InChIInChI=1S/C8H9BO5/c1-13-7-3-2-6(5-10)4-8(7)14-9(11)12/h2-5,11-12H,1H3
InChIKeyFEBISJSEOFKVJK-UHFFFAOYSA-N
MW195.97 g/mol
LogP-0.14
Rot. Bonds4

About (5-formyl-2-methoxyphenoxy)boronic acid

(5-formyl-2-methoxyphenoxy)boronic acid (PubChem CID 139979594) has the molecular formula C8H9BO5 and a molecular weight of 195.97 g/mol. Its IUPAC name is (5-formyl-2-methoxyphenoxy)boronic acid.

Molecular Properties

Compound Name(5-formyl-2-methoxyphenoxy)boronic acid
PubChem CID139979594
Molecular FormulaC8H9BO5
Molecular Weight195.97 g/mol
Exact Mass196.05
IUPAC Name(5-formyl-2-methoxyphenoxy)boronic acid
SMILESCOc1ccc(C=O)cc1OB(O)O
InChIInChI=1S/C8H9BO5/c1-13-7-3-2-6(5-10)4-8(7)14-9(11)12/h2-5,11-12H,1H3
InChIKeyFEBISJSEOFKVJK-UHFFFAOYSA-N
XLogP-0.14
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.97
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (5-formyl-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

3,4-dimethoxybenzaldehyde;4-hydroxy-3-methoxybenzaldehyde
CID 174683420
3-hydroxy-4-methoxybenzaldehyde
CID 87256894
CID 130345281
CID 130345281
ethane;3-hydroxy-4-methoxybenzaldehyde
CID 145493378
carbanide;3,4-dimethoxybenzaldehyde;1,2-dimethoxy-4-methylbenzene;palladium
CID 158784293
1,2-dimethoxybenzene;4-hydroxy-3-methoxybenzaldehyde
CID 175414068
4-(4-formyl-2-methoxyphenoxy)phosphanyloxy-3-methoxybenzaldehyde
CID 58610952
CID 167405011
CID 167405011
4-methoxy-3-(3-methylbutan-2-yloxy)benzaldehyde
CID 117051953
(4-formyl-2-methoxyphenyl) nitrate
CID 22323696
(5-formyl-2-methoxyphenyl) 2-chloroacetate
CID 592476
3-chloro-4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 101137815

Frequently Asked Questions

What is the IUPAC name of (5-formyl-2-methoxyphenoxy)boronic acid?
The IUPAC name of (5-formyl-2-methoxyphenoxy)boronic acid (CID 139979594) is (5-formyl-2-methoxyphenoxy)boronic acid.
What is the SMILES notation for (5-formyl-2-methoxyphenoxy)boronic acid?
The canonical SMILES for (5-formyl-2-methoxyphenoxy)boronic acid is COc1ccc(C=O)cc1OB(O)O.
What is the InChIKey of (5-formyl-2-methoxyphenoxy)boronic acid?
The InChIKey is FEBISJSEOFKVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BO5/c1-13-7-3-2-6(5-10)4-8(7)14-9(11)12/h2-5,11-12H,1H3.
What are the key properties of (5-formyl-2-methoxyphenoxy)boronic acid?
(5-formyl-2-methoxyphenoxy)boronic acid has a molecular weight of 195.97 g/mol, XLogP of -0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-formyl-2-methoxyphenoxy)boronic acid is sourced from PubChem (CID 139979594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).