(5-methoxy-2-pentoxyphenyl)boronic acid

C12H19BO4 — CID 104706038

IUPAC(5-methoxy-2-pentoxyphenyl)boronic acid
SMILESCCCCCOc1ccc(OC)cc1B(O)O
InChIInChI=1S/C12H19BO4/c1-3-4-5-8-17-12-7-6-10(16-2)9-11(12)13(14)15/h6-7,9,14-15H,3-5,8H2,1-2H3
InChIKeyWGRVTFXTYCQRML-UHFFFAOYSA-N
MW238.09 g/mol
LogP0.94
Rot. Bonds7

About (5-methoxy-2-pentoxyphenyl)boronic acid

(5-methoxy-2-pentoxyphenyl)boronic acid (PubChem CID 104706038) has the molecular formula C12H19BO4 and a molecular weight of 238.09 g/mol. Its IUPAC name is (5-methoxy-2-pentoxyphenyl)boronic acid.

Molecular Properties

Compound Name(5-methoxy-2-pentoxyphenyl)boronic acid
PubChem CID104706038
Molecular FormulaC12H19BO4
Molecular Weight238.09 g/mol
Exact Mass238.14
IUPAC Name(5-methoxy-2-pentoxyphenyl)boronic acid
SMILESCCCCCOc1ccc(OC)cc1B(O)O
InChIInChI=1S/C12H19BO4/c1-3-4-5-8-17-12-7-6-10(16-2)9-11(12)13(14)15/h6-7,9,14-15H,3-5,8H2,1-2H3
InChIKeyWGRVTFXTYCQRML-UHFFFAOYSA-N
XLogP0.94
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.09
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5-methoxy-2-pentoxyphenyl)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

[5-methoxy-2-(4,4,4-trifluorobutoxy)phenyl]boronic acid
CID 104706122
[5-methoxy-2-(3-methylbutoxy)phenyl]boronic acid
CID 104706043
[5-methoxy-2-(methoxymethoxy)phenyl]boronic acid
CID 112694276
[2-(2-cyclopropylethoxy)-5-methoxyphenyl]boronic acid
CID 104706134
5-methoxy-2-undecoxybenzaldehyde
CID 15617492
5-methoxy-2-nonoxyaniline
CID 43128995
[2-decoxy-5-(trifluoromethyl)phenyl]boronic acid
CID 150144384
2-butoxy-5-methoxybenzoic acid
CID 43213162
(2-docosoxy-4-methoxyphenyl)methanol
CID 53257210
(2,5-diethoxyphenyl)boronic acid
CID 45094210
2,5-Dimethoxyphenylboronic acid boronic acid
CID 67486333
(1S)-1-(4-methoxy-2-pentoxyphenyl)ethanol
CID 82001094

Frequently Asked Questions

What is the IUPAC name of (5-methoxy-2-pentoxyphenyl)boronic acid?
The IUPAC name of (5-methoxy-2-pentoxyphenyl)boronic acid (CID 104706038) is (5-methoxy-2-pentoxyphenyl)boronic acid.
What is the SMILES notation for (5-methoxy-2-pentoxyphenyl)boronic acid?
The canonical SMILES for (5-methoxy-2-pentoxyphenyl)boronic acid is CCCCCOc1ccc(OC)cc1B(O)O.
What is the InChIKey of (5-methoxy-2-pentoxyphenyl)boronic acid?
The InChIKey is WGRVTFXTYCQRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BO4/c1-3-4-5-8-17-12-7-6-10(16-2)9-11(12)13(14)15/h6-7,9,14-15H,3-5,8H2,1-2H3.
What are the key properties of (5-methoxy-2-pentoxyphenyl)boronic acid?
(5-methoxy-2-pentoxyphenyl)boronic acid has a molecular weight of 238.09 g/mol, XLogP of 0.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-2-pentoxyphenyl)boronic acid is sourced from PubChem (CID 104706038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).