(3-cyclopropyl-2-methylphenyl)boronic acid

C10H13BO2 — CID 124706850

IUPAC(3-cyclopropyl-2-methylphenyl)boronic acid
SMILESCc1c(B(O)O)cccc1C1CC1
InChIInChI=1S/C10H13BO2/c1-7-9(8-5-6-8)3-2-4-10(7)11(12)13/h2-4,8,12-13H,5-6H2,1H3
InChIKeyOSASQHNXISRQFW-UHFFFAOYSA-N
MW176.02 g/mol
LogP0.55
Rot. Bonds2

About (3-cyclopropyl-2-methylphenyl)boronic acid

(3-cyclopropyl-2-methylphenyl)boronic acid (PubChem CID 124706850) has the molecular formula C10H13BO2 and a molecular weight of 176.02 g/mol. Its IUPAC name is (3-cyclopropyl-2-methylphenyl)boronic acid.

Molecular Properties

Compound Name(3-cyclopropyl-2-methylphenyl)boronic acid
PubChem CID124706850
Molecular FormulaC10H13BO2
Molecular Weight176.02 g/mol
Exact Mass176.10
IUPAC Name(3-cyclopropyl-2-methylphenyl)boronic acid
SMILESCc1c(B(O)O)cccc1C1CC1
InChIInChI=1S/C10H13BO2/c1-7-9(8-5-6-8)3-2-4-10(7)11(12)13/h2-4,8,12-13H,5-6H2,1H3
InChIKeyOSASQHNXISRQFW-UHFFFAOYSA-N
XLogP0.55
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.02
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-cyclohexyl-3-cyclopentylphenyl)boronic acid
CID 156779684
1-cyclopropyl-2,3-dimethylbenzene;ethane;formic acid
CID 144560479
(2,3-dimethylphenyl)boronic acid;ethane
CID 91164707
(3-bromo-2-methylphenyl)boronic acid
CID 54157843
(2,3-dimethylphenyl)cyclodecane
CID 21161883
tricyclo[6.2.2.02,7]dodeca-2,4,6-triene
CID 582301
CID 174102953
CID 174102953
3-cyclohexyl-2-methylbenzaldehyde
CID 15107628
2,6-dicyclopropylaniline
CID 129249080
(3-amino-2-cyclopentylphenyl)boronic acid
CID 68783806
(5-cyclopropyl-2,4-difluorophenyl)boronic acid
CID 164891697
2-chloro-N-[(3-cyclopropyl-2-methylphenyl)methyl]acetamide
CID 166430876

Frequently Asked Questions

What is the IUPAC name of (3-cyclopropyl-2-methylphenyl)boronic acid?
The IUPAC name of (3-cyclopropyl-2-methylphenyl)boronic acid (CID 124706850) is (3-cyclopropyl-2-methylphenyl)boronic acid.
What is the SMILES notation for (3-cyclopropyl-2-methylphenyl)boronic acid?
The canonical SMILES for (3-cyclopropyl-2-methylphenyl)boronic acid is Cc1c(B(O)O)cccc1C1CC1.
What is the InChIKey of (3-cyclopropyl-2-methylphenyl)boronic acid?
The InChIKey is OSASQHNXISRQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BO2/c1-7-9(8-5-6-8)3-2-4-10(7)11(12)13/h2-4,8,12-13H,5-6H2,1H3.
What are the key properties of (3-cyclopropyl-2-methylphenyl)boronic acid?
(3-cyclopropyl-2-methylphenyl)boronic acid has a molecular weight of 176.02 g/mol, XLogP of 0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropyl-2-methylphenyl)boronic acid is sourced from PubChem (CID 124706850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).