(3-cyclohexyloxy-4-methoxycarbonylphenoxy)boronic acid

C14H19BO6 — CID 142758363

IUPAC(3-cyclohexyloxy-4-methoxycarbonylphenoxy)boronic acid
SMILESCOC(=O)c1ccc(OB(O)O)cc1OC1CCCCC1
InChIInChI=1S/C14H19BO6/c1-19-14(16)12-8-7-11(21-15(17)18)9-13(12)20-10-5-3-2-4-6-10/h7-10,17-18H,2-6H2,1H3
InChIKeySZIYAEUCPLXUSG-UHFFFAOYSA-N
MW294.11 g/mol
LogP1.53
Rot. Bonds5

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

(3-cyclohexyloxy-4-methoxycarbonylphenoxy)boronic acid (PubChem CID 142758363) has the molecular formula C14H19BO6 and a molecular weight of 294.11 g/mol. Its IUPAC name is (3-cyclohexyloxy-4-methoxycarbonylphenoxy)boronic acid.

Molecular Properties

Compound Name(3-cyclohexyloxy-4-methoxycarbonylphenoxy)boronic acid
PubChem CID142758363
Molecular FormulaC14H19BO6
Molecular Weight294.11 g/mol
Exact Mass294.13
IUPAC Name(3-cyclohexyloxy-4-methoxycarbonylphenoxy)boronic acid
SMILESCOC(=O)c1ccc(OB(O)O)cc1OC1CCCCC1
InChIInChI=1S/C14H19BO6/c1-19-14(16)12-8-7-11(21-15(17)18)9-13(12)20-10-5-3-2-4-6-10/h7-10,17-18H,2-6H2,1H3
InChIKeySZIYAEUCPLXUSG-UHFFFAOYSA-N
XLogP1.53
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.11
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(3-cyclohexyloxy-4-methoxycarbonylphenyl)boronic acid
CID 24822808
methyl 2-cyclohexyloxybenzoate
CID 11345342
2-cyclohexyloxy-4-methoxybenzoic acid
CID 61269041
[3-cyclohexyloxy-4-(2-phenylmethoxyethylsulfonylcarbamoyl)phenoxy]boronic acid
CID 142758368
methyl 4-amino-2-(3-methoxycyclohexyl)oxybenzoate
CID 106955060
methyl 2-amino-3-cyclohexyloxybenzoate
CID 113333231
(5-chloro-2-methoxycarbonylphenoxy)boronic acid
CID 142796908
4-chloro-2-cyclohexyloxybenzoic acid
CID 61379499
2-cyclobutyloxy-4-methoxybenzenecarbothioamide
CID 81302804
1-(4-bromo-2-cyclopentyloxyphenyl)ethanone
CID 70085923
(NE)-N-[1-(2-cyclopentyloxy-4-methoxyphenyl)ethylidene]hydroxylamine
CID 82001227
2-cyclopentyloxy-4-propoxybenzoic acid
CID 43472393

Frequently Asked Questions

What is the IUPAC name of (3-cyclohexyloxy-4-methoxycarbonylphenoxy)boronic acid?
The IUPAC name of (3-cyclohexyloxy-4-methoxycarbonylphenoxy)boronic acid (CID 142758363) is (3-cyclohexyloxy-4-methoxycarbonylphenoxy)boronic acid.
What is the SMILES notation for (3-cyclohexyloxy-4-methoxycarbonylphenoxy)boronic acid?
The canonical SMILES for (3-cyclohexyloxy-4-methoxycarbonylphenoxy)boronic acid is COC(=O)c1ccc(OB(O)O)cc1OC1CCCCC1.
What is the InChIKey of (3-cyclohexyloxy-4-methoxycarbonylphenoxy)boronic acid?
The InChIKey is SZIYAEUCPLXUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BO6/c1-19-14(16)12-8-7-11(21-15(17)18)9-13(12)20-10-5-3-2-4-6-10/h7-10,17-18H,2-6H2,1H3.
What are the key properties of (3-cyclohexyloxy-4-methoxycarbonylphenoxy)boronic acid?
(3-cyclohexyloxy-4-methoxycarbonylphenoxy)boronic acid has a molecular weight of 294.11 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclohexyloxy-4-methoxycarbonylphenoxy)boronic acid is sourced from PubChem (CID 142758363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).