[4-(4-ethylcyclohexyl)oxyphenyl]boronic acid

C14H21BO3 — CID 64747544

IUPAC[4-(4-ethylcyclohexyl)oxyphenyl]boronic acid
SMILESCCC1CCC(Oc2ccc(B(O)O)cc2)CC1
InChIInChI=1S/C14H21BO3/c1-2-11-3-7-13(8-4-11)18-14-9-5-12(6-10-14)15(16)17/h5-6,9-11,13,16-17H,2-4,7-8H2,1H3
InChIKeyRKGMFBNPBVHCPO-UHFFFAOYSA-N
MW248.13 g/mol
LogP1.71
Rot. Bonds4

About [4-(4-ethylcyclohexyl)oxyphenyl]boronic acid

[4-(4-ethylcyclohexyl)oxyphenyl]boronic acid (PubChem CID 64747544) has the molecular formula C14H21BO3 and a molecular weight of 248.13 g/mol. Its IUPAC name is [4-(4-ethylcyclohexyl)oxyphenyl]boronic acid.

Molecular Properties

Compound Name[4-(4-ethylcyclohexyl)oxyphenyl]boronic acid
PubChem CID64747544
Molecular FormulaC14H21BO3
Molecular Weight248.13 g/mol
Exact Mass248.16
IUPAC Name[4-(4-ethylcyclohexyl)oxyphenyl]boronic acid
SMILESCCC1CCC(Oc2ccc(B(O)O)cc2)CC1
InChIInChI=1S/C14H21BO3/c1-2-11-3-7-13(8-4-11)18-14-9-5-12(6-10-14)15(16)17/h5-6,9-11,13,16-17H,2-4,7-8H2,1H3
InChIKeyRKGMFBNPBVHCPO-UHFFFAOYSA-N
XLogP1.71
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.13
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-cyclopentyloxyphenyl)boronic acid
CID 23005412
[4-(4-ethylcyclohexyl)oxy-2-fluorophenyl]boronic acid
CID 65203571
1-tert-butyl-4-(4-ethylcyclohexyl)oxybenzene
CID 64764201
2-[4-(4-ethylcyclohexyl)oxyphenyl]ethanol
CID 107709472
ethane;1-(4-ethylcyclohexyl)oxy-4-propan-2-ylbenzene
CID 176986547
2-[4-(4-ethylcyclohexyl)oxyphenyl]ethanamine
CID 64750202
3-[[4-(4-ethylcyclohexyl)oxyphenyl]methoxy]-2,3-dimethylbutan-2-ol
CID 90182760
1-(4-ethylcyclohexyl)oxy-3-fluorobenzene
CID 64766217
[(4-cyclopropyloxyphenyl)-(4-ethylcyclohexyl)methyl]hydrazine
CID 105231410
[2-ethenyl-4-(4-ethylcyclohexyl)oxyphenyl]-hydroxy-methylideneazanium
CID 144562410
(6-cyclobutyloxynaphthalen-2-yl)boronic acid
CID 140913385
[4-[(4-ethylpiperidin-1-yl)methyl]phenyl]boronic acid
CID 54971109

Frequently Asked Questions

What is the IUPAC name of [4-(4-ethylcyclohexyl)oxyphenyl]boronic acid?
The IUPAC name of [4-(4-ethylcyclohexyl)oxyphenyl]boronic acid (CID 64747544) is [4-(4-ethylcyclohexyl)oxyphenyl]boronic acid.
What is the SMILES notation for [4-(4-ethylcyclohexyl)oxyphenyl]boronic acid?
The canonical SMILES for [4-(4-ethylcyclohexyl)oxyphenyl]boronic acid is CCC1CCC(Oc2ccc(B(O)O)cc2)CC1.
What is the InChIKey of [4-(4-ethylcyclohexyl)oxyphenyl]boronic acid?
The InChIKey is RKGMFBNPBVHCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BO3/c1-2-11-3-7-13(8-4-11)18-14-9-5-12(6-10-14)15(16)17/h5-6,9-11,13,16-17H,2-4,7-8H2,1H3.
What are the key properties of [4-(4-ethylcyclohexyl)oxyphenyl]boronic acid?
[4-(4-ethylcyclohexyl)oxyphenyl]boronic acid has a molecular weight of 248.13 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-ethylcyclohexyl)oxyphenyl]boronic acid is sourced from PubChem (CID 64747544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).