4-[2-(4-methylphenoxy)ethyl]borinane-1-carbonitrile

C15H20BNO — CID 143759856

IUPAC4-[2-(4-methylphenoxy)ethyl]borinane-1-carbonitrile
SMILESCc1ccc(OCCC2CCB(C#N)CC2)cc1
InChIInChI=1S/C15H20BNO/c1-13-2-4-15(5-3-13)18-11-8-14-6-9-16(12-17)10-7-14/h2-5,14H,6-11H2,1H3
InChIKeyZOVXCWVEBMEITB-UHFFFAOYSA-N
MW241.14 g/mol
LogP3.73
Rot. Bonds4

About 4-[2-(4-methylphenoxy)ethyl]borinane-1-carbonitrile

4-[2-(4-methylphenoxy)ethyl]borinane-1-carbonitrile (PubChem CID 143759856) has the molecular formula C15H20BNO and a molecular weight of 241.14 g/mol. Its IUPAC name is 4-[2-(4-methylphenoxy)ethyl]borinane-1-carbonitrile.

Molecular Properties

Compound Name4-[2-(4-methylphenoxy)ethyl]borinane-1-carbonitrile
PubChem CID143759856
Molecular FormulaC15H20BNO
Molecular Weight241.14 g/mol
Exact Mass241.16
IUPAC Name4-[2-(4-methylphenoxy)ethyl]borinane-1-carbonitrile
SMILESCc1ccc(OCCC2CCB(C#N)CC2)cc1
InChIInChI=1S/C15H20BNO/c1-13-2-4-15(5-3-13)18-11-8-14-6-9-16(12-17)10-7-14/h2-5,14H,6-11H2,1H3
InChIKeyZOVXCWVEBMEITB-UHFFFAOYSA-N
XLogP3.73
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.14
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2-phenylmethoxyethyl)borinane-1-carbonitrile
CID 142259156
3-[2-(4-methylphenoxy)ethyl]piperidine
CID 45075559
1-(2-cyclopropyloxyethoxy)-4-methylbenzene
CID 153135187
methyl (Z)-2-cyano-3-[4-(2-cyclohexylethoxy)anilino]prop-2-enoate
CID 19629064
3-[3-(4-methylphenoxy)propylsulfonyl]propanenitrile
CID 82181574
2-[2-(4-methylphenoxy)ethylsulfonyl]acetonitrile
CID 82180986
1-(2-cyclopropylethoxy)-4-nitrobenzene
CID 67453725
2-[2-(4-methylphenoxy)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79576518
4-(2-cyclopropylethoxy)pyridine
CID 174949801
N-(cyclopropylmethyl)-2-[4-(4-methylphenyl)phenoxy]ethanamine
CID 62599303
1-methyl-4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]benzene
CID 22218704
2-methyl-1-[3-(4-methylphenoxy)propyl]piperidine
CID 11948033

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methylphenoxy)ethyl]borinane-1-carbonitrile?
The IUPAC name of 4-[2-(4-methylphenoxy)ethyl]borinane-1-carbonitrile (CID 143759856) is 4-[2-(4-methylphenoxy)ethyl]borinane-1-carbonitrile.
What is the SMILES notation for 4-[2-(4-methylphenoxy)ethyl]borinane-1-carbonitrile?
The canonical SMILES for 4-[2-(4-methylphenoxy)ethyl]borinane-1-carbonitrile is Cc1ccc(OCCC2CCB(C#N)CC2)cc1.
What is the InChIKey of 4-[2-(4-methylphenoxy)ethyl]borinane-1-carbonitrile?
The InChIKey is ZOVXCWVEBMEITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BNO/c1-13-2-4-15(5-3-13)18-11-8-14-6-9-16(12-17)10-7-14/h2-5,14H,6-11H2,1H3.
What are the key properties of 4-[2-(4-methylphenoxy)ethyl]borinane-1-carbonitrile?
4-[2-(4-methylphenoxy)ethyl]borinane-1-carbonitrile has a molecular weight of 241.14 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methylphenoxy)ethyl]borinane-1-carbonitrile is sourced from PubChem (CID 143759856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).