(3-cyclohexyloxy-4-methoxycarbonylphenyl)boronic acid

C14H19BO5 — CID 24822808

IUPAC(3-cyclohexyloxy-4-methoxycarbonylphenyl)boronic acid
SMILESCOC(=O)c1ccc(B(O)O)cc1OC1CCCCC1
InChIInChI=1S/C14H19BO5/c1-19-14(16)12-8-7-10(15(17)18)9-13(12)20-11-5-3-2-4-6-11/h7-9,11,17-18H,2-6H2,1H3
InChIKeyCQSLITZIZPAUOK-UHFFFAOYSA-N
MW278.11 g/mol
LogP0.86
Rot. Bonds4

About (3-cyclohexyloxy-4-methoxycarbonylphenyl)boronic acid

(3-cyclohexyloxy-4-methoxycarbonylphenyl)boronic acid (PubChem CID 24822808) has the molecular formula C14H19BO5 and a molecular weight of 278.11 g/mol. Its IUPAC name is (3-cyclohexyloxy-4-methoxycarbonylphenyl)boronic acid.

Molecular Properties

Compound Name(3-cyclohexyloxy-4-methoxycarbonylphenyl)boronic acid
PubChem CID24822808
Molecular FormulaC14H19BO5
Molecular Weight278.11 g/mol
Exact Mass278.13
IUPAC Name(3-cyclohexyloxy-4-methoxycarbonylphenyl)boronic acid
SMILESCOC(=O)c1ccc(B(O)O)cc1OC1CCCCC1
InChIInChI=1S/C14H19BO5/c1-19-14(16)12-8-7-10(15(17)18)9-13(12)20-11-5-3-2-4-6-11/h7-9,11,17-18H,2-6H2,1H3
InChIKeyCQSLITZIZPAUOK-UHFFFAOYSA-N
XLogP0.86
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.11
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3-cyclohexyloxy-4-methoxycarbonylphenoxy)boronic acid
CID 142758363
methyl 2-cyclohexyloxybenzoate
CID 11345342
(3-cycloheptyloxy-4-fluorophenyl)boronic acid
CID 114674835
[3-cyclohexyloxy-4-(3-hydroxypropylsulfonylcarbamoyl)phenyl]boronic acid
CID 67098391
(3-cyclohexyloxy-4-sulfamoylphenyl)boronic acid
CID 67097987
methyl 4-amino-2-(3-methoxycyclohexyl)oxybenzoate
CID 106955060
(4-methoxycarbonyl-3-propoxyphenyl)boronic acid
CID 130058692
methyl 2-amino-3-cyclohexyloxybenzoate
CID 113333231
2-cyclohexyloxy-4-methoxybenzoic acid
CID 61269041
4-chloro-2-cyclohexyloxybenzoic acid
CID 61379499
methyl 2-amino-3-cyclopentyloxy-4-methoxybenzoate
CID 66781747
methyl 2-[(3-cyclopentyloxy-4-methoxyphenyl)carbamoyl]benzoate
CID 19428226

Frequently Asked Questions

What is the IUPAC name of (3-cyclohexyloxy-4-methoxycarbonylphenyl)boronic acid?
The IUPAC name of (3-cyclohexyloxy-4-methoxycarbonylphenyl)boronic acid (CID 24822808) is (3-cyclohexyloxy-4-methoxycarbonylphenyl)boronic acid.
What is the SMILES notation for (3-cyclohexyloxy-4-methoxycarbonylphenyl)boronic acid?
The canonical SMILES for (3-cyclohexyloxy-4-methoxycarbonylphenyl)boronic acid is COC(=O)c1ccc(B(O)O)cc1OC1CCCCC1.
What is the InChIKey of (3-cyclohexyloxy-4-methoxycarbonylphenyl)boronic acid?
The InChIKey is CQSLITZIZPAUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BO5/c1-19-14(16)12-8-7-10(15(17)18)9-13(12)20-11-5-3-2-4-6-11/h7-9,11,17-18H,2-6H2,1H3.
What are the key properties of (3-cyclohexyloxy-4-methoxycarbonylphenyl)boronic acid?
(3-cyclohexyloxy-4-methoxycarbonylphenyl)boronic acid has a molecular weight of 278.11 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclohexyloxy-4-methoxycarbonylphenyl)boronic acid is sourced from PubChem (CID 24822808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).