[2-(cyclopropylmethoxy)-5-methylphenyl]boronic acid

C11H15BO3 — CID 43560577

IUPAC[2-(cyclopropylmethoxy)-5-methylphenyl]boronic acid
SMILESCc1ccc(OCC2CC2)c(B(O)O)c1
InChIInChI=1S/C11H15BO3/c1-8-2-5-11(10(6-8)12(13)14)15-7-9-3-4-9/h2,5-6,9,13-14H,3-4,7H2,1H3
InChIKeyHDCXPITXWUSFAB-UHFFFAOYSA-N
MW206.05 g/mol
LogP0.46
Rot. Bonds4

About [2-(cyclopropylmethoxy)-5-methylphenyl]boronic acid

[2-(cyclopropylmethoxy)-5-methylphenyl]boronic acid (PubChem CID 43560577) has the molecular formula C11H15BO3 and a molecular weight of 206.05 g/mol. Its IUPAC name is [2-(cyclopropylmethoxy)-5-methylphenyl]boronic acid.

Molecular Properties

Compound Name[2-(cyclopropylmethoxy)-5-methylphenyl]boronic acid
PubChem CID43560577
Molecular FormulaC11H15BO3
Molecular Weight206.05 g/mol
Exact Mass206.11
IUPAC Name[2-(cyclopropylmethoxy)-5-methylphenyl]boronic acid
SMILESCc1ccc(OCC2CC2)c(B(O)O)c1
InChIInChI=1S/C11H15BO3/c1-8-2-5-11(10(6-8)12(13)14)15-7-9-3-4-9/h2,5-6,9,13-14H,3-4,7H2,1H3
InChIKeyHDCXPITXWUSFAB-UHFFFAOYSA-N
XLogP0.46
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.05
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclopropylmethoxy)-1,4-dimethylbenzene
CID 160770501
(2-cyclopentyloxy-5-methylphenyl)boronic acid
CID 43145346
[2-(cyclopentylmethoxy)-5-methylphenyl]methanol
CID 63325672
[2-(cyclopropylmethoxymethoxy)-5-fluorophenyl]boronic acid
CID 106929966
[5-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]boronic acid
CID 65162445
2-[2-(cyclopropylmethoxy)-5-methylphenyl]propanoic acid
CID 117340664
2-[2-(cyclopropylmethoxy)-5-methylphenyl]-2-hydroxyacetic acid
CID 117344706
1-[2-(cyclopropylmethoxy)-5-methylphenyl]cyclopropane-1-carboxylic acid
CID 117367982
1-[2-(cyclopentylmethoxy)-4-methylphenyl]ethanone
CID 63650104
[5-fluoro-2-[[(3R)-oxolan-3-yl]methoxy]phenyl]boronic acid
CID 99773305
2-(cyclohexylmethoxy)-5-methylbenzenecarbothioamide
CID 107929587
2-(3-chloroprop-1-ynyl)-1-(cyclopropylmethoxy)-4-methylbenzene
CID 60802185

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylmethoxy)-5-methylphenyl]boronic acid?
The IUPAC name of [2-(cyclopropylmethoxy)-5-methylphenyl]boronic acid (CID 43560577) is [2-(cyclopropylmethoxy)-5-methylphenyl]boronic acid.
What is the SMILES notation for [2-(cyclopropylmethoxy)-5-methylphenyl]boronic acid?
The canonical SMILES for [2-(cyclopropylmethoxy)-5-methylphenyl]boronic acid is Cc1ccc(OCC2CC2)c(B(O)O)c1.
What is the InChIKey of [2-(cyclopropylmethoxy)-5-methylphenyl]boronic acid?
The InChIKey is HDCXPITXWUSFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BO3/c1-8-2-5-11(10(6-8)12(13)14)15-7-9-3-4-9/h2,5-6,9,13-14H,3-4,7H2,1H3.
What are the key properties of [2-(cyclopropylmethoxy)-5-methylphenyl]boronic acid?
[2-(cyclopropylmethoxy)-5-methylphenyl]boronic acid has a molecular weight of 206.05 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylmethoxy)-5-methylphenyl]boronic acid is sourced from PubChem (CID 43560577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).