[2-(1-prop-2-enylcyclohexyl)phenyl]boronic acid

C15H21BO2 — CID 70163362

IUPAC[2-(1-prop-2-enylcyclohexyl)phenyl]boronic acid
SMILESC=CCC1(c2ccccc2B(O)O)CCCCC1
InChIInChI=1S/C15H21BO2/c1-2-10-15(11-6-3-7-12-15)13-8-4-5-9-14(13)16(17)18/h2,4-5,8-9,17-18H,1,3,6-7,10-12H2
InChIKeyZBLJTVKWUUCJQN-UHFFFAOYSA-N
MW244.14 g/mol
LogP2.14
Rot. Bonds4

About [2-(1-prop-2-enylcyclohexyl)phenyl]boronic acid

[2-(1-prop-2-enylcyclohexyl)phenyl]boronic acid (PubChem CID 70163362) has the molecular formula C15H21BO2 and a molecular weight of 244.14 g/mol. Its IUPAC name is [2-(1-prop-2-enylcyclohexyl)phenyl]boronic acid.

Molecular Properties

Compound Name[2-(1-prop-2-enylcyclohexyl)phenyl]boronic acid
PubChem CID70163362
Molecular FormulaC15H21BO2
Molecular Weight244.14 g/mol
Exact Mass244.16
IUPAC Name[2-(1-prop-2-enylcyclohexyl)phenyl]boronic acid
SMILESC=CCC1(c2ccccc2B(O)O)CCCCC1
InChIInChI=1S/C15H21BO2/c1-2-10-15(11-6-3-7-12-15)13-8-4-5-9-14(13)16(17)18/h2,4-5,8-9,17-18H,1,3,6-7,10-12H2
InChIKeyZBLJTVKWUUCJQN-UHFFFAOYSA-N
XLogP2.14
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.14
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(1-prop-2-enylcyclohexyl)phenyl]boronic acid?
The IUPAC name of [2-(1-prop-2-enylcyclohexyl)phenyl]boronic acid (CID 70163362) is [2-(1-prop-2-enylcyclohexyl)phenyl]boronic acid.
What is the SMILES notation for [2-(1-prop-2-enylcyclohexyl)phenyl]boronic acid?
The canonical SMILES for [2-(1-prop-2-enylcyclohexyl)phenyl]boronic acid is C=CCC1(c2ccccc2B(O)O)CCCCC1.
What is the InChIKey of [2-(1-prop-2-enylcyclohexyl)phenyl]boronic acid?
The InChIKey is ZBLJTVKWUUCJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BO2/c1-2-10-15(11-6-3-7-12-15)13-8-4-5-9-14(13)16(17)18/h2,4-5,8-9,17-18H,1,3,6-7,10-12H2.
What are the key properties of [2-(1-prop-2-enylcyclohexyl)phenyl]boronic acid?
[2-(1-prop-2-enylcyclohexyl)phenyl]boronic acid has a molecular weight of 244.14 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-prop-2-enylcyclohexyl)phenyl]boronic acid is sourced from PubChem (CID 70163362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).