[4-(2-propylphenyl)phenyl]boronic acid

C15H17BO2 — CID 141105485

IUPAC[4-(2-propylphenyl)phenyl]boronic acid
SMILESCCCc1ccccc1-c1ccc(B(O)O)cc1
InChIInChI=1S/C15H17BO2/c1-2-5-12-6-3-4-7-15(12)13-8-10-14(11-9-13)16(17)18/h3-4,6-11,17-18H,2,5H2,1H3
InChIKeyDUJBNKMRWATPBF-UHFFFAOYSA-N
MW240.11 g/mol
LogP1.99
Rot. Bonds4

About [4-(2-propylphenyl)phenyl]boronic acid

[4-(2-propylphenyl)phenyl]boronic acid (PubChem CID 141105485) has the molecular formula C15H17BO2 and a molecular weight of 240.11 g/mol. Its IUPAC name is [4-(2-propylphenyl)phenyl]boronic acid.

Molecular Properties

Compound Name[4-(2-propylphenyl)phenyl]boronic acid
PubChem CID141105485
Molecular FormulaC15H17BO2
Molecular Weight240.11 g/mol
Exact Mass240.13
IUPAC Name[4-(2-propylphenyl)phenyl]boronic acid
SMILESCCCc1ccccc1-c1ccc(B(O)O)cc1
InChIInChI=1S/C15H17BO2/c1-2-5-12-6-3-4-7-15(12)13-8-10-14(11-9-13)16(17)18/h3-4,6-11,17-18H,2,5H2,1H3
InChIKeyDUJBNKMRWATPBF-UHFFFAOYSA-N
XLogP1.99
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.11
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [4-(2-propylphenyl)phenyl]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

1-propylazulene
CID 10397225
1-ethyl-2-iodobenzene;1-ethyl-2-(4-methylphenyl)benzene;(4-methylphenyl)boronic acid
CID 160549881
1-ethenyl-4-(2-propylphenyl)benzene
CID 90768054
(2-ethylphenyl)boronic acid;(4-propylphenyl)boronic acid
CID 159769329
1-butyl-2-(4-methylphenyl)benzene
CID 58626581
1-fluoro-2-(2-propylphenyl)benzene
CID 154059621
2-methoxy-5-(2-propylphenyl)pyridine
CID 118003206
gold;1-pentyl-2-phenylbenzene
CID 174945702
ethane;1-methyl-3-(2-propylphenyl)benzene
CID 145018385
(2-fluoro-3-phenyl-6-propylphenyl)boronic acid
CID 174997280
1-ethyl-2-[2-(2-phenylphenyl)ethyl]benzene
CID 173431013
carbonic acid;1-hexyl-2-phenylbenzene
CID 67180533

Frequently Asked Questions

What is the IUPAC name of [4-(2-propylphenyl)phenyl]boronic acid?
The IUPAC name of [4-(2-propylphenyl)phenyl]boronic acid (CID 141105485) is [4-(2-propylphenyl)phenyl]boronic acid.
What is the SMILES notation for [4-(2-propylphenyl)phenyl]boronic acid?
The canonical SMILES for [4-(2-propylphenyl)phenyl]boronic acid is CCCc1ccccc1-c1ccc(B(O)O)cc1.
What is the InChIKey of [4-(2-propylphenyl)phenyl]boronic acid?
The InChIKey is DUJBNKMRWATPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BO2/c1-2-5-12-6-3-4-7-15(12)13-8-10-14(11-9-13)16(17)18/h3-4,6-11,17-18H,2,5H2,1H3.
What are the key properties of [4-(2-propylphenyl)phenyl]boronic acid?
[4-(2-propylphenyl)phenyl]boronic acid has a molecular weight of 240.11 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-propylphenyl)phenyl]boronic acid is sourced from PubChem (CID 141105485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).