(2-phenylmethoxy-5-propan-2-ylphenyl)boronic acid

C16H19BO3 — CID 163353622

IUPAC(2-phenylmethoxy-5-propan-2-ylphenyl)boronic acid
SMILESCC(C)c1ccc(OCc2ccccc2)c(B(O)O)c1
InChIInChI=1S/C16H19BO3/c1-12(2)14-8-9-16(15(10-14)17(18)19)20-11-13-6-4-3-5-7-13/h3-10,12,18-19H,11H2,1-2H3
InChIKeyOHUYUNNZGNBBQW-UHFFFAOYSA-N
MW270.14 g/mol
LogP2.07
Rot. Bonds5

About (2-phenylmethoxy-5-propan-2-ylphenyl)boronic acid

(2-phenylmethoxy-5-propan-2-ylphenyl)boronic acid (PubChem CID 163353622) has the molecular formula C16H19BO3 and a molecular weight of 270.14 g/mol. Its IUPAC name is (2-phenylmethoxy-5-propan-2-ylphenyl)boronic acid.

Molecular Properties

Compound Name(2-phenylmethoxy-5-propan-2-ylphenyl)boronic acid
PubChem CID163353622
Molecular FormulaC16H19BO3
Molecular Weight270.14 g/mol
Exact Mass270.14
IUPAC Name(2-phenylmethoxy-5-propan-2-ylphenyl)boronic acid
SMILESCC(C)c1ccc(OCc2ccccc2)c(B(O)O)c1
InChIInChI=1S/C16H19BO3/c1-12(2)14-8-9-16(15(10-14)17(18)19)20-11-13-6-4-3-5-7-13/h3-10,12,18-19H,11H2,1-2H3
InChIKeyOHUYUNNZGNBBQW-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-[(4-propan-2-ylphenyl)methoxy]phenyl]boronic acid
CID 43327841
2-phenylmethoxy-5-propan-2-ylbenzaldehyde
CID 87719757
(2-methoxy-5-phenylmethoxyphenyl)boronic acid
CID 75537210
[3-methyl-4-[(4-propan-2-ylphenyl)methoxy]phenyl]boronic acid
CID 63549727
(2,4-dimethyl-5-phenylmethoxyphenyl)boronic acid
CID 164892116
4-(2-phenylmethoxy-5-propan-2-ylphenyl)-1,2-oxazole-3-carboxylic acid
CID 174785797
1-(3-fluoro-4-phenylmethoxyphenyl)ethanol
CID 115582207
(1S)-1-(3-methoxy-4-phenylmethoxyphenyl)ethanol
CID 63364701
(2S)-2-amino-3-(3-borono-4-phenylmethoxyphenyl)-2-methylpropanoic acid
CID 171439716
methyl 2-phenylmethoxy-4-[(4-propan-2-ylphenyl)methoxy]benzoate
CID 10596554
4-butan-2-yl-2-phenylmethoxyphenol
CID 58776827
5-(1,3-diphenylbutyl)-2-phenylmethoxybenzoic acid
CID 139749479

Frequently Asked Questions

What is the IUPAC name of (2-phenylmethoxy-5-propan-2-ylphenyl)boronic acid?
The IUPAC name of (2-phenylmethoxy-5-propan-2-ylphenyl)boronic acid (CID 163353622) is (2-phenylmethoxy-5-propan-2-ylphenyl)boronic acid.
What is the SMILES notation for (2-phenylmethoxy-5-propan-2-ylphenyl)boronic acid?
The canonical SMILES for (2-phenylmethoxy-5-propan-2-ylphenyl)boronic acid is CC(C)c1ccc(OCc2ccccc2)c(B(O)O)c1.
What is the InChIKey of (2-phenylmethoxy-5-propan-2-ylphenyl)boronic acid?
The InChIKey is OHUYUNNZGNBBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BO3/c1-12(2)14-8-9-16(15(10-14)17(18)19)20-11-13-6-4-3-5-7-13/h3-10,12,18-19H,11H2,1-2H3.
What are the key properties of (2-phenylmethoxy-5-propan-2-ylphenyl)boronic acid?
(2-phenylmethoxy-5-propan-2-ylphenyl)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-phenylmethoxy-5-propan-2-ylphenyl)boronic acid is sourced from PubChem (CID 163353622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).