[2-methoxy-3-(methoxymethyl)-5-methylphenyl]boronic acid

C10H15BO4 — CID 10262520

IUPAC[2-methoxy-3-(methoxymethyl)-5-methylphenyl]boronic acid
SMILESCOCc1cc(C)cc(B(O)O)c1OC
InChIInChI=1S/C10H15BO4/c1-7-4-8(6-14-2)10(15-3)9(5-7)11(12)13/h4-5,12-13H,6H2,1-3H3
InChIKeyKMPWQZAPFKFJFQ-UHFFFAOYSA-N
MW210.04 g/mol
LogP-0.17
Rot. Bonds4

About [2-methoxy-3-(methoxymethyl)-5-methylphenyl]boronic acid

[2-methoxy-3-(methoxymethyl)-5-methylphenyl]boronic acid (PubChem CID 10262520) has the molecular formula C10H15BO4 and a molecular weight of 210.04 g/mol. Its IUPAC name is [2-methoxy-3-(methoxymethyl)-5-methylphenyl]boronic acid.

Molecular Properties

Compound Name[2-methoxy-3-(methoxymethyl)-5-methylphenyl]boronic acid
PubChem CID10262520
Molecular FormulaC10H15BO4
Molecular Weight210.04 g/mol
Exact Mass210.11
IUPAC Name[2-methoxy-3-(methoxymethyl)-5-methylphenyl]boronic acid
SMILESCOCc1cc(C)cc(B(O)O)c1OC
InChIInChI=1S/C10H15BO4/c1-7-4-8(6-14-2)10(15-3)9(5-7)11(12)13/h4-5,12-13H,6H2,1-3H3
InChIKeyKMPWQZAPFKFJFQ-UHFFFAOYSA-N
XLogP-0.17
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.04
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-methoxy-3-(methoxymethyl)-5-methylphenyl]boronic acid?
The IUPAC name of [2-methoxy-3-(methoxymethyl)-5-methylphenyl]boronic acid (CID 10262520) is [2-methoxy-3-(methoxymethyl)-5-methylphenyl]boronic acid.
What is the SMILES notation for [2-methoxy-3-(methoxymethyl)-5-methylphenyl]boronic acid?
The canonical SMILES for [2-methoxy-3-(methoxymethyl)-5-methylphenyl]boronic acid is COCc1cc(C)cc(B(O)O)c1OC.
What is the InChIKey of [2-methoxy-3-(methoxymethyl)-5-methylphenyl]boronic acid?
The InChIKey is KMPWQZAPFKFJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BO4/c1-7-4-8(6-14-2)10(15-3)9(5-7)11(12)13/h4-5,12-13H,6H2,1-3H3.
What are the key properties of [2-methoxy-3-(methoxymethyl)-5-methylphenyl]boronic acid?
[2-methoxy-3-(methoxymethyl)-5-methylphenyl]boronic acid has a molecular weight of 210.04 g/mol, XLogP of -0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-3-(methoxymethyl)-5-methylphenyl]boronic acid is sourced from PubChem (CID 10262520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).