(4-cyclopentyloxy-2-methylphenyl)boronic acid

C12H17BO3 — CID 83140342

IUPAC(4-cyclopentyloxy-2-methylphenyl)boronic acid
SMILESCc1cc(OC2CCCC2)ccc1B(O)O
InChIInChI=1S/C12H17BO3/c1-9-8-11(6-7-12(9)13(14)15)16-10-4-2-3-5-10/h6-8,10,14-15H,2-5H2,1H3
InChIKeyXOSRXBDXBQIBJS-UHFFFAOYSA-N
MW220.08 g/mol
LogP1.00
Rot. Bonds3

About (4-cyclopentyloxy-2-methylphenyl)boronic acid

(4-cyclopentyloxy-2-methylphenyl)boronic acid (PubChem CID 83140342) has the molecular formula C12H17BO3 and a molecular weight of 220.08 g/mol. Its IUPAC name is (4-cyclopentyloxy-2-methylphenyl)boronic acid.

Molecular Properties

Compound Name(4-cyclopentyloxy-2-methylphenyl)boronic acid
PubChem CID83140342
Molecular FormulaC12H17BO3
Molecular Weight220.08 g/mol
Exact Mass220.13
IUPAC Name(4-cyclopentyloxy-2-methylphenyl)boronic acid
SMILESCc1cc(OC2CCCC2)ccc1B(O)O
InChIInChI=1S/C12H17BO3/c1-9-8-11(6-7-12(9)13(14)15)16-10-4-2-3-5-10/h6-8,10,14-15H,2-5H2,1H3
InChIKeyXOSRXBDXBQIBJS-UHFFFAOYSA-N
XLogP1.00
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.08
LogP ≤ 51.00
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

(6-cyclobutyloxynaphthalen-2-yl)boronic acid
CID 140913385
(4-cyclopentyloxyphenyl)boronic acid
CID 23005412
4-cycloheptyloxy-2-methylbenzenecarbothioamide
CID 81277562
(2-cyclopentyloxy-5-methylphenyl)boronic acid
CID 43145346
[4-(4-ethylcyclohexyl)oxy-2-fluorophenyl]boronic acid
CID 65203571
3-(3-methyl-4-propan-2-ylphenoxy)cyclohexan-1-ol
CID 79618028
2-methyl-4-(3-methylcyclohexyl)oxybenzoic acid
CID 81281730
(4-bromo-3,5-dimethylphenoxy)cycloheptane
CID 107723724
[4-(cyclopropylmethoxymethoxy)-2-methylphenyl]boronic acid
CID 106929992
4-(4-cyclohexyloxy-2-methylphenyl)but-3-yn-1-ol
CID 83134165
(3-methylphenoxy)cyclononane
CID 145391482
4-(3-ethylcyclohexyl)oxy-2-methylbenzoic acid
CID 81294246

Frequently Asked Questions

What is the IUPAC name of (4-cyclopentyloxy-2-methylphenyl)boronic acid?
The IUPAC name of (4-cyclopentyloxy-2-methylphenyl)boronic acid (CID 83140342) is (4-cyclopentyloxy-2-methylphenyl)boronic acid.
What is the SMILES notation for (4-cyclopentyloxy-2-methylphenyl)boronic acid?
The canonical SMILES for (4-cyclopentyloxy-2-methylphenyl)boronic acid is Cc1cc(OC2CCCC2)ccc1B(O)O.
What is the InChIKey of (4-cyclopentyloxy-2-methylphenyl)boronic acid?
The InChIKey is XOSRXBDXBQIBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BO3/c1-9-8-11(6-7-12(9)13(14)15)16-10-4-2-3-5-10/h6-8,10,14-15H,2-5H2,1H3.
What are the key properties of (4-cyclopentyloxy-2-methylphenyl)boronic acid?
(4-cyclopentyloxy-2-methylphenyl)boronic acid has a molecular weight of 220.08 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopentyloxy-2-methylphenyl)boronic acid is sourced from PubChem (CID 83140342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).