(5-pentyl-2-phenylphenyl)boronic acid

C17H21BO2 — CID 68778715

IUPAC(5-pentyl-2-phenylphenyl)boronic acid
SMILESCCCCCc1ccc(-c2ccccc2)c(B(O)O)c1
InChIInChI=1S/C17H21BO2/c1-2-3-5-8-14-11-12-16(17(13-14)18(19)20)15-9-6-4-7-10-15/h4,6-7,9-13,19-20H,2-3,5,8H2,1H3
InChIKeyUBPYIVDHMCYLHH-UHFFFAOYSA-N
MW268.17 g/mol
LogP2.77
Rot. Bonds6

About (5-pentyl-2-phenylphenyl)boronic acid

(5-pentyl-2-phenylphenyl)boronic acid (PubChem CID 68778715) has the molecular formula C17H21BO2 and a molecular weight of 268.17 g/mol. Its IUPAC name is (5-pentyl-2-phenylphenyl)boronic acid.

Molecular Properties

Compound Name(5-pentyl-2-phenylphenyl)boronic acid
PubChem CID68778715
Molecular FormulaC17H21BO2
Molecular Weight268.17 g/mol
Exact Mass268.16
IUPAC Name(5-pentyl-2-phenylphenyl)boronic acid
SMILESCCCCCc1ccc(-c2ccccc2)c(B(O)O)c1
InChIInChI=1S/C17H21BO2/c1-2-3-5-8-14-11-12-16(17(13-14)18(19)20)15-9-6-4-7-10-15/h4,6-7,9-13,19-20H,2-3,5,8H2,1H3
InChIKeyUBPYIVDHMCYLHH-UHFFFAOYSA-N
XLogP2.77
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.17
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-pentyl-1-phenylbenzene
CID 139836929
4-pentyl-2-phenylphenol
CID 154147556
4-pentyl-2-phenylbenzonitrile
CID 156772995
4-(3-fluoro-4-phenylphenyl)butan-1-ol
CID 172805530
4-[2-(4-pentylphenyl)phenyl]benzoic acid
CID 139608159
1,4-didecyl-2-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 141240736
1-hexyl-4-(2-phenylphenyl)benzene;sulfane
CID 158588704
(2-fluoro-4-pentylphenyl)boronic acid
CID 54278063
2-octylazulene
CID 101406191
1-pentadecyl-4-phenylbenzene
CID 57166115
5-heptyl-2-phenylbenzenecarboximidamide;hydrochloride
CID 139680194
3-dodecyl-4-phenylbenzoic acid
CID 19933758

Frequently Asked Questions

What is the IUPAC name of (5-pentyl-2-phenylphenyl)boronic acid?
The IUPAC name of (5-pentyl-2-phenylphenyl)boronic acid (CID 68778715) is (5-pentyl-2-phenylphenyl)boronic acid.
What is the SMILES notation for (5-pentyl-2-phenylphenyl)boronic acid?
The canonical SMILES for (5-pentyl-2-phenylphenyl)boronic acid is CCCCCc1ccc(-c2ccccc2)c(B(O)O)c1.
What is the InChIKey of (5-pentyl-2-phenylphenyl)boronic acid?
The InChIKey is UBPYIVDHMCYLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BO2/c1-2-3-5-8-14-11-12-16(17(13-14)18(19)20)15-9-6-4-7-10-15/h4,6-7,9-13,19-20H,2-3,5,8H2,1H3.
What are the key properties of (5-pentyl-2-phenylphenyl)boronic acid?
(5-pentyl-2-phenylphenyl)boronic acid has a molecular weight of 268.17 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-pentyl-2-phenylphenyl)boronic acid is sourced from PubChem (CID 68778715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).