1-[4-(cyclohexylmethyl)phenyl]borolane

C17H25B — CID 123849299

IUPAC1-[4-(cyclohexylmethyl)phenyl]borolane
SMILESc1cc(B2CCCC2)ccc1CC1CCCCC1
InChIInChI=1S/C17H25B/c1-2-6-15(7-3-1)14-16-8-10-17(11-9-16)18-12-4-5-13-18/h8-11,15H,1-7,12-14H2
InChIKeyDEECBONILZTQHH-UHFFFAOYSA-N
MW240.20 g/mol
LogP4.30
Rot. Bonds3

About 1-[4-(cyclohexylmethyl)phenyl]borolane

1-[4-(cyclohexylmethyl)phenyl]borolane (PubChem CID 123849299) has the molecular formula C17H25B and a molecular weight of 240.20 g/mol. Its IUPAC name is 1-[4-(cyclohexylmethyl)phenyl]borolane.

Molecular Properties

Compound Name1-[4-(cyclohexylmethyl)phenyl]borolane
PubChem CID123849299
Molecular FormulaC17H25B
Molecular Weight240.20 g/mol
Exact Mass240.20
IUPAC Name1-[4-(cyclohexylmethyl)phenyl]borolane
SMILESc1cc(B2CCCC2)ccc1CC1CCCCC1
InChIInChI=1S/C17H25B/c1-2-6-15(7-3-1)14-16-8-10-17(11-9-16)18-12-4-5-13-18/h8-11,15H,1-7,12-14H2
InChIKeyDEECBONILZTQHH-UHFFFAOYSA-N
XLogP4.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.20
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclohexylmethyl)phenyl]borolane?
The IUPAC name of 1-[4-(cyclohexylmethyl)phenyl]borolane (CID 123849299) is 1-[4-(cyclohexylmethyl)phenyl]borolane.
What is the SMILES notation for 1-[4-(cyclohexylmethyl)phenyl]borolane?
The canonical SMILES for 1-[4-(cyclohexylmethyl)phenyl]borolane is c1cc(B2CCCC2)ccc1CC1CCCCC1.
What is the InChIKey of 1-[4-(cyclohexylmethyl)phenyl]borolane?
The InChIKey is DEECBONILZTQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25B/c1-2-6-15(7-3-1)14-16-8-10-17(11-9-16)18-12-4-5-13-18/h8-11,15H,1-7,12-14H2.
What are the key properties of 1-[4-(cyclohexylmethyl)phenyl]borolane?
1-[4-(cyclohexylmethyl)phenyl]borolane has a molecular weight of 240.20 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclohexylmethyl)phenyl]borolane is sourced from PubChem (CID 123849299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).