[2-(4-methylcyclohexyl)oxyphenyl]boronic acid

C13H19BO3 — CID 64747344

IUPAC[2-(4-methylcyclohexyl)oxyphenyl]boronic acid
SMILESCC1CCC(Oc2ccccc2B(O)O)CC1
InChIInChI=1S/C13H19BO3/c1-10-6-8-11(9-7-10)17-13-5-3-2-4-12(13)14(15)16/h2-5,10-11,15-16H,6-9H2,1H3
InChIKeyFGGQUEXJPBCMJL-UHFFFAOYSA-N
MW234.10 g/mol
LogP1.32
Rot. Bonds3

About [2-(4-methylcyclohexyl)oxyphenyl]boronic acid

[2-(4-methylcyclohexyl)oxyphenyl]boronic acid (PubChem CID 64747344) has the molecular formula C13H19BO3 and a molecular weight of 234.10 g/mol. Its IUPAC name is [2-(4-methylcyclohexyl)oxyphenyl]boronic acid.

Molecular Properties

Compound Name[2-(4-methylcyclohexyl)oxyphenyl]boronic acid
PubChem CID64747344
Molecular FormulaC13H19BO3
Molecular Weight234.10 g/mol
Exact Mass234.14
IUPAC Name[2-(4-methylcyclohexyl)oxyphenyl]boronic acid
SMILESCC1CCC(Oc2ccccc2B(O)O)CC1
InChIInChI=1S/C13H19BO3/c1-10-6-8-11(9-7-10)17-13-5-3-2-4-12(13)14(15)16/h2-5,10-11,15-16H,6-9H2,1H3
InChIKeyFGGQUEXJPBCMJL-UHFFFAOYSA-N
XLogP1.32
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.10
LogP ≤ 51.32
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

1-cyclopropyloxy-2-iodobenzene;(2-cyclopropyloxyphenyl)boronic acid;(2-cyclopropyloxyphenyl)-dimethoxyborane;2-iodophenol
CID 157287838
1-[2-(4-methylcyclohexyl)oxyphenyl]piperidin-4-amine
CID 64774458
1-(bromomethyl)-2-(4-methylcyclohexyl)oxybenzene
CID 64747332
[3-methyl-4-(4-methylcyclohexyl)oxyphenyl]boronic acid
CID 64747745
(2-methoxyphenyl)boronic acid
CID 2733958
2-methyl-N-[[2-(4-methylcyclohexyl)oxyphenyl]methyl]propan-2-amine
CID 64748080
[2-(4-methylcyclohexyl)oxynaphthalen-1-yl]methanol
CID 64748926
2-(4-propan-2-ylcyclohexyl)oxybenzoic acid
CID 70444480
2-(3,4-dimethylcyclohexyl)oxybenzoic acid
CID 64745909
(2-cyclopentyloxy-5-methylphenyl)boronic acid
CID 43145346
2-(2-cyclopropyloxyphenyl)propan-2-ol
CID 84664133
[5-methoxy-2-(3-methylcyclohexyl)oxyphenyl]boronic acid
CID 104706054

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylcyclohexyl)oxyphenyl]boronic acid?
The IUPAC name of [2-(4-methylcyclohexyl)oxyphenyl]boronic acid (CID 64747344) is [2-(4-methylcyclohexyl)oxyphenyl]boronic acid.
What is the SMILES notation for [2-(4-methylcyclohexyl)oxyphenyl]boronic acid?
The canonical SMILES for [2-(4-methylcyclohexyl)oxyphenyl]boronic acid is CC1CCC(Oc2ccccc2B(O)O)CC1.
What is the InChIKey of [2-(4-methylcyclohexyl)oxyphenyl]boronic acid?
The InChIKey is FGGQUEXJPBCMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BO3/c1-10-6-8-11(9-7-10)17-13-5-3-2-4-12(13)14(15)16/h2-5,10-11,15-16H,6-9H2,1H3.
What are the key properties of [2-(4-methylcyclohexyl)oxyphenyl]boronic acid?
[2-(4-methylcyclohexyl)oxyphenyl]boronic acid has a molecular weight of 234.10 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylcyclohexyl)oxyphenyl]boronic acid is sourced from PubChem (CID 64747344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).