[2-[(4-propan-2-ylphenyl)methoxy]phenyl]boronic acid

C16H19BO3 — CID 43327841

IUPAC[2-[(4-propan-2-ylphenyl)methoxy]phenyl]boronic acid
SMILESCC(C)c1ccc(COc2ccccc2B(O)O)cc1
InChIInChI=1S/C16H19BO3/c1-12(2)14-9-7-13(8-10-14)11-20-16-6-4-3-5-15(16)17(18)19/h3-10,12,18-19H,11H2,1-2H3
InChIKeyHZEKUHSZGJGOBR-UHFFFAOYSA-N
MW270.14 g/mol
LogP2.07
Rot. Bonds5

About [2-[(4-propan-2-ylphenyl)methoxy]phenyl]boronic acid

[2-[(4-propan-2-ylphenyl)methoxy]phenyl]boronic acid (PubChem CID 43327841) has the molecular formula C16H19BO3 and a molecular weight of 270.14 g/mol. Its IUPAC name is [2-[(4-propan-2-ylphenyl)methoxy]phenyl]boronic acid.

Molecular Properties

Compound Name[2-[(4-propan-2-ylphenyl)methoxy]phenyl]boronic acid
PubChem CID43327841
Molecular FormulaC16H19BO3
Molecular Weight270.14 g/mol
Exact Mass270.14
IUPAC Name[2-[(4-propan-2-ylphenyl)methoxy]phenyl]boronic acid
SMILESCC(C)c1ccc(COc2ccccc2B(O)O)cc1
InChIInChI=1S/C16H19BO3/c1-12(2)14-9-7-13(8-10-14)11-20-16-6-4-3-5-15(16)17(18)19/h3-10,12,18-19H,11H2,1-2H3
InChIKeyHZEKUHSZGJGOBR-UHFFFAOYSA-N
XLogP2.07
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.14
LogP ≤ 52.07
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

(2-phenylmethoxy-5-propan-2-ylphenyl)boronic acid
CID 163353622
(1R)-1-[2-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanamine
CID 28973755
[3-methyl-4-[(4-propan-2-ylphenyl)methoxy]phenyl]boronic acid
CID 63549727
[2-(pyridin-3-ylmethoxy)phenyl]boronic acid
CID 43145276
2-[(4-propan-2-ylphenyl)methoxy]benzoic acid;(4-propan-2-ylphenyl)methyl 2-hydroxybenzoate
CID 158933022
(2-ethoxyphenyl)boronic acid
CID 2734902
4-fluoro-2-[(4-propan-2-ylphenyl)methoxy]benzoic acid
CID 107014367
[2-[(3-cyano-4-fluorophenyl)methoxy]phenyl]boronic acid
CID 107882689
[2-[(2-fluorophenyl)methoxy]phenyl]boronic acid
CID 43327857
(2-propoxyphenyl)boronic acid
CID 4219796
8-[(4-propan-2-ylphenyl)methoxy]imidazo[1,2-a]pyridine-2-carboxylic acid
CID 82055681
2-phenylmethoxy-5-propan-2-ylbenzaldehyde
CID 87719757

Frequently Asked Questions

What is the IUPAC name of [2-[(4-propan-2-ylphenyl)methoxy]phenyl]boronic acid?
The IUPAC name of [2-[(4-propan-2-ylphenyl)methoxy]phenyl]boronic acid (CID 43327841) is [2-[(4-propan-2-ylphenyl)methoxy]phenyl]boronic acid.
What is the SMILES notation for [2-[(4-propan-2-ylphenyl)methoxy]phenyl]boronic acid?
The canonical SMILES for [2-[(4-propan-2-ylphenyl)methoxy]phenyl]boronic acid is CC(C)c1ccc(COc2ccccc2B(O)O)cc1.
What is the InChIKey of [2-[(4-propan-2-ylphenyl)methoxy]phenyl]boronic acid?
The InChIKey is HZEKUHSZGJGOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BO3/c1-12(2)14-9-7-13(8-10-14)11-20-16-6-4-3-5-15(16)17(18)19/h3-10,12,18-19H,11H2,1-2H3.
What are the key properties of [2-[(4-propan-2-ylphenyl)methoxy]phenyl]boronic acid?
[2-[(4-propan-2-ylphenyl)methoxy]phenyl]boronic acid has a molecular weight of 270.14 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-propan-2-ylphenyl)methoxy]phenyl]boronic acid is sourced from PubChem (CID 43327841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).