[3-[2-(cyclohexylmethoxy)ethoxy]phenyl]boronic acid

C15H23BO4 — CID 62383023

IUPAC[3-[2-(cyclohexylmethoxy)ethoxy]phenyl]boronic acid
SMILESOB(O)c1cccc(OCCOCC2CCCCC2)c1
InChIInChI=1S/C15H23BO4/c17-16(18)14-7-4-8-15(11-14)20-10-9-19-12-13-5-2-1-3-6-13/h4,7-8,11,13,17-18H,1-3,5-6,9-10,12H2
InChIKeyHGVWMORRDCNMBQ-UHFFFAOYSA-N
MW278.16 g/mol
LogP1.34
Rot. Bonds7

About [3-[2-(cyclohexylmethoxy)ethoxy]phenyl]boronic acid

[3-[2-(cyclohexylmethoxy)ethoxy]phenyl]boronic acid (PubChem CID 62383023) has the molecular formula C15H23BO4 and a molecular weight of 278.16 g/mol. Its IUPAC name is [3-[2-(cyclohexylmethoxy)ethoxy]phenyl]boronic acid.

Molecular Properties

Compound Name[3-[2-(cyclohexylmethoxy)ethoxy]phenyl]boronic acid
PubChem CID62383023
Molecular FormulaC15H23BO4
Molecular Weight278.16 g/mol
Exact Mass278.17
IUPAC Name[3-[2-(cyclohexylmethoxy)ethoxy]phenyl]boronic acid
SMILESOB(O)c1cccc(OCCOCC2CCCCC2)c1
InChIInChI=1S/C15H23BO4/c17-16(18)14-7-4-8-15(11-14)20-10-9-19-12-13-5-2-1-3-6-13/h4,7-8,11,13,17-18H,1-3,5-6,9-10,12H2
InChIKeyHGVWMORRDCNMBQ-UHFFFAOYSA-N
XLogP1.34
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.16
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

[3-[2-(cycloheptylmethoxy)ethoxy]phenyl]boronic acid
CID 114248720
[3-[2-(cyclopropylmethoxy)ethoxy]phenyl]boronic acid
CID 54970934
[3-(2-cyclopentyloxyethoxy)phenyl]boronic acid
CID 54971026
1-bromo-3-[2-(cyclopentylmethoxy)ethoxy]benzene
CID 66321596
3-[2-(cyclohexylmethoxy)ethoxy]benzonitrile
CID 62381700
3-[3-[2-(cyclohexylmethoxy)ethoxy]phenyl]prop-2-yn-1-ol
CID 62383394
[3-[2-(2-methylpropoxy)ethoxy]phenyl]boronic acid
CID 54970593
3-[2-(cyclopropylmethoxy)ethoxy]benzoic acid
CID 43532308
[3-[2-[cyclopropyl(methyl)amino]ethoxy]phenyl]boronic acid
CID 54971054
[3-[2-(2-propylpiperidin-1-yl)ethoxy]phenyl]boronic acid
CID 83044828
(3-propoxyphenoxy)methylcyclooctane
CID 69097441
4-[2-(cyclohexylmethoxy)ethoxy]benzohydrazide
CID 63570015

Frequently Asked Questions

What is the IUPAC name of [3-[2-(cyclohexylmethoxy)ethoxy]phenyl]boronic acid?
The IUPAC name of [3-[2-(cyclohexylmethoxy)ethoxy]phenyl]boronic acid (CID 62383023) is [3-[2-(cyclohexylmethoxy)ethoxy]phenyl]boronic acid.
What is the SMILES notation for [3-[2-(cyclohexylmethoxy)ethoxy]phenyl]boronic acid?
The canonical SMILES for [3-[2-(cyclohexylmethoxy)ethoxy]phenyl]boronic acid is OB(O)c1cccc(OCCOCC2CCCCC2)c1.
What is the InChIKey of [3-[2-(cyclohexylmethoxy)ethoxy]phenyl]boronic acid?
The InChIKey is HGVWMORRDCNMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BO4/c17-16(18)14-7-4-8-15(11-14)20-10-9-19-12-13-5-2-1-3-6-13/h4,7-8,11,13,17-18H,1-3,5-6,9-10,12H2.
What are the key properties of [3-[2-(cyclohexylmethoxy)ethoxy]phenyl]boronic acid?
[3-[2-(cyclohexylmethoxy)ethoxy]phenyl]boronic acid has a molecular weight of 278.16 g/mol, XLogP of 1.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(cyclohexylmethoxy)ethoxy]phenyl]boronic acid is sourced from PubChem (CID 62383023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).