(2,3-diethyl-4-methoxyphenoxy)boronic acid

C11H17BO4 — CID 54089245

IUPAC(2,3-diethyl-4-methoxyphenoxy)boronic acid
SMILESCCc1c(OC)ccc(OB(O)O)c1CC
InChIInChI=1S/C11H17BO4/c1-4-8-9(5-2)11(16-12(13)14)7-6-10(8)15-3/h6-7,13-14H,4-5H2,1-3H3
InChIKeyMSRNIBMKYXISDH-UHFFFAOYSA-N
MW224.06 g/mol
LogP1.17
Rot. Bonds5

About (2,3-diethyl-4-methoxyphenoxy)boronic acid

(2,3-diethyl-4-methoxyphenoxy)boronic acid (PubChem CID 54089245) has the molecular formula C11H17BO4 and a molecular weight of 224.06 g/mol. Its IUPAC name is (2,3-diethyl-4-methoxyphenoxy)boronic acid.

Molecular Properties

Compound Name(2,3-diethyl-4-methoxyphenoxy)boronic acid
PubChem CID54089245
Molecular FormulaC11H17BO4
Molecular Weight224.06 g/mol
Exact Mass224.12
IUPAC Name(2,3-diethyl-4-methoxyphenoxy)boronic acid
SMILESCCc1c(OC)ccc(OB(O)O)c1CC
InChIInChI=1S/C11H17BO4/c1-4-8-9(5-2)11(16-12(13)14)7-6-10(8)15-3/h6-7,13-14H,4-5H2,1-3H3
InChIKeyMSRNIBMKYXISDH-UHFFFAOYSA-N
XLogP1.17
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.06
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2,3,4-triethylphenoxy)boronic acid
CID 68718555
(2-ethyl-3,6-dimethoxyphenyl)methanamine
CID 84666315
3-(2-ethyl-3,6-dimethoxyphenyl)propan-1-ol
CID 117322230
2-bromo-3-ethyl-1,4-dimethoxybenzene
CID 84704847
[5-(hydroxymethyl)-2-methoxyphenoxy]boronic acid
CID 142791148
tris(2,3-diethyl-4-methoxyphenyl) phosphate
CID 177312827
2-ethyl-3,6-dimethoxybenzoic acid
CID 84677566
1-chloro-2-ethyl-4-methoxy-3-methylbenzene
CID 118491478
(5-formyl-2-methoxyphenoxy)boronic acid
CID 139979594
(4-cyano-2-methoxyphenoxy)boronic acid
CID 153409326
1-chloro-2-ethyl-3-fluoro-4-methoxybenzene
CID 118261733
3-ethyl-4-methoxy-1-methylpyridin-2-one
CID 167006179

Frequently Asked Questions

What is the IUPAC name of (2,3-diethyl-4-methoxyphenoxy)boronic acid?
The IUPAC name of (2,3-diethyl-4-methoxyphenoxy)boronic acid (CID 54089245) is (2,3-diethyl-4-methoxyphenoxy)boronic acid.
What is the SMILES notation for (2,3-diethyl-4-methoxyphenoxy)boronic acid?
The canonical SMILES for (2,3-diethyl-4-methoxyphenoxy)boronic acid is CCc1c(OC)ccc(OB(O)O)c1CC.
What is the InChIKey of (2,3-diethyl-4-methoxyphenoxy)boronic acid?
The InChIKey is MSRNIBMKYXISDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BO4/c1-4-8-9(5-2)11(16-12(13)14)7-6-10(8)15-3/h6-7,13-14H,4-5H2,1-3H3.
What are the key properties of (2,3-diethyl-4-methoxyphenoxy)boronic acid?
(2,3-diethyl-4-methoxyphenoxy)boronic acid has a molecular weight of 224.06 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-diethyl-4-methoxyphenoxy)boronic acid is sourced from PubChem (CID 54089245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).