[3-(4-methylpent-1-enyl)phenyl]boronic acid

C12H17BO2 — CID 154064958

IUPAC[3-(4-methylpent-1-enyl)phenyl]boronic acid
SMILESCC(C)CC=Cc1cccc(B(O)O)c1
InChIInChI=1S/C12H17BO2/c1-10(2)5-3-6-11-7-4-8-12(9-11)13(14)15/h3-4,6-10,14-15H,5H2,1-2H3
InChIKeySFQZTOVYWLUUQX-UHFFFAOYSA-N
MW204.08 g/mol
LogP1.43
Rot. Bonds4

About [3-(4-methylpent-1-enyl)phenyl]boronic acid

[3-(4-methylpent-1-enyl)phenyl]boronic acid (PubChem CID 154064958) has the molecular formula C12H17BO2 and a molecular weight of 204.08 g/mol. Its IUPAC name is [3-(4-methylpent-1-enyl)phenyl]boronic acid.

Molecular Properties

Compound Name[3-(4-methylpent-1-enyl)phenyl]boronic acid
PubChem CID154064958
Molecular FormulaC12H17BO2
Molecular Weight204.08 g/mol
Exact Mass204.13
IUPAC Name[3-(4-methylpent-1-enyl)phenyl]boronic acid
SMILESCC(C)CC=Cc1cccc(B(O)O)c1
InChIInChI=1S/C12H17BO2/c1-10(2)5-3-6-11-7-4-8-12(9-11)13(14)15/h3-4,6-10,14-15H,5H2,1-2H3
InChIKeySFQZTOVYWLUUQX-UHFFFAOYSA-N
XLogP1.43
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.08
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [3-(4-methylpent-1-enyl)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-[(E)-4-methylpent-1-enyl]-3-[(E)-pent-1-enyl]benzene
CID 141236827
2-[(E)-4-methylpent-1-enyl]naphthalene
CID 15318830
[3-[(E)-3-phenylprop-2-enoxy]phenyl]boronic acid
CID 43327904
(E,2S)-5-(3-ethylphenyl)pent-4-en-2-ol
CID 89151097
1-[(E)-4,4-dimethoxybut-1-enyl]-3-fluorobenzene
CID 71465696
5-(3-fluorophenyl)-N-methylpent-4-en-2-amine
CID 70124830
(2R)-2-methyl-5-(3-propan-2-ylphenyl)pent-4-en-1-ol
CID 91359945
(E,2R)-5-(3-ethylphenyl)-2-methylpent-4-en-1-ol
CID 89151077
1-chloro-4-(4-methylpent-1-enyl)benzene
CID 156766327
4-[(E)-4-methylpent-1-enyl]pyridine
CID 118334247
[3-(3-methylbutanoyl)phenyl]boronic acid
CID 74788598
[3-[2-[2-[(3-boronophenyl)methylideneamino]ethyldisulfanyl]ethyliminomethyl]phenyl]boronic acid
CID 89391396

Frequently Asked Questions

What is the IUPAC name of [3-(4-methylpent-1-enyl)phenyl]boronic acid?
The IUPAC name of [3-(4-methylpent-1-enyl)phenyl]boronic acid (CID 154064958) is [3-(4-methylpent-1-enyl)phenyl]boronic acid.
What is the SMILES notation for [3-(4-methylpent-1-enyl)phenyl]boronic acid?
The canonical SMILES for [3-(4-methylpent-1-enyl)phenyl]boronic acid is CC(C)CC=Cc1cccc(B(O)O)c1.
What is the InChIKey of [3-(4-methylpent-1-enyl)phenyl]boronic acid?
The InChIKey is SFQZTOVYWLUUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BO2/c1-10(2)5-3-6-11-7-4-8-12(9-11)13(14)15/h3-4,6-10,14-15H,5H2,1-2H3.
What are the key properties of [3-(4-methylpent-1-enyl)phenyl]boronic acid?
[3-(4-methylpent-1-enyl)phenyl]boronic acid has a molecular weight of 204.08 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methylpent-1-enyl)phenyl]boronic acid is sourced from PubChem (CID 154064958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).