(2-cyclopentyloxy-5-methylphenyl)boronic acid

C12H17BO3 — CID 43145346

IUPAC(2-cyclopentyloxy-5-methylphenyl)boronic acid
SMILESCc1ccc(OC2CCCC2)c(B(O)O)c1
InChIInChI=1S/C12H17BO3/c1-9-6-7-12(11(8-9)13(14)15)16-10-4-2-3-5-10/h6-8,10,14-15H,2-5H2,1H3
InChIKeyGGLMKUJEQSKWOG-UHFFFAOYSA-N
MW220.08 g/mol
LogP1.00
Rot. Bonds3

About (2-cyclopentyloxy-5-methylphenyl)boronic acid

(2-cyclopentyloxy-5-methylphenyl)boronic acid (PubChem CID 43145346) has the molecular formula C12H17BO3 and a molecular weight of 220.08 g/mol. Its IUPAC name is (2-cyclopentyloxy-5-methylphenyl)boronic acid.

Molecular Properties

Compound Name(2-cyclopentyloxy-5-methylphenyl)boronic acid
PubChem CID43145346
Molecular FormulaC12H17BO3
Molecular Weight220.08 g/mol
Exact Mass220.13
IUPAC Name(2-cyclopentyloxy-5-methylphenyl)boronic acid
SMILESCc1ccc(OC2CCCC2)c(B(O)O)c1
InChIInChI=1S/C12H17BO3/c1-9-6-7-12(11(8-9)13(14)15)16-10-4-2-3-5-10/h6-8,10,14-15H,2-5H2,1H3
InChIKeyGGLMKUJEQSKWOG-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

[2-(3,5-dimethylcyclohexyl)oxy-5-methylphenyl]boronic acid
CID 64735720
2-cyclopentyloxy-1-methoxy-4-methylbenzene;ethane
CID 142884364
2-bromo-1-cyclobutyloxy-4-methylbenzene
CID 84702402
(2-cyclobutyloxy-5-methylphenyl)methanol
CID 84664151
2-cyclobutyloxy-4-methylbenzoic acid
CID 62700894
[2-(cyclopropylmethoxy)-5-methylphenyl]boronic acid
CID 43560577
[5-methoxy-2-(3-methylcyclohexyl)oxyphenyl]boronic acid
CID 104706054
1-(2-cyclopentyloxy-4-methylphenyl)ethanol
CID 63650282
(NZ)-N-[1-(2-cycloheptyloxy-5-methylphenyl)ethylidene]hydroxylamine
CID 82927238
(4-cyclopentyloxy-2-methylphenyl)boronic acid
CID 83140342
(1S)-1-(2-cycloheptyloxy-4-methylphenyl)ethanol
CID 82928224
(NE)-N-[1-(2-cyclopentyloxy-4-methylphenyl)ethylidene]hydroxylamine
CID 98566862

Frequently Asked Questions

What is the IUPAC name of (2-cyclopentyloxy-5-methylphenyl)boronic acid?
The IUPAC name of (2-cyclopentyloxy-5-methylphenyl)boronic acid (CID 43145346) is (2-cyclopentyloxy-5-methylphenyl)boronic acid.
What is the SMILES notation for (2-cyclopentyloxy-5-methylphenyl)boronic acid?
The canonical SMILES for (2-cyclopentyloxy-5-methylphenyl)boronic acid is Cc1ccc(OC2CCCC2)c(B(O)O)c1.
What is the InChIKey of (2-cyclopentyloxy-5-methylphenyl)boronic acid?
The InChIKey is GGLMKUJEQSKWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BO3/c1-9-6-7-12(11(8-9)13(14)15)16-10-4-2-3-5-10/h6-8,10,14-15H,2-5H2,1H3.
What are the key properties of (2-cyclopentyloxy-5-methylphenyl)boronic acid?
(2-cyclopentyloxy-5-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 (2-cyclopentyloxy-5-methylphenyl)boronic acid is sourced from PubChem (CID 43145346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).