(2,4-dimethyl-5-phenylmethoxyphenyl)boronic acid

C15H17BO3 — CID 164892116

IUPAC(2,4-dimethyl-5-phenylmethoxyphenyl)boronic acid
SMILESCc1cc(C)c(B(O)O)cc1OCc1ccccc1
InChIInChI=1S/C15H17BO3/c1-11-8-12(2)15(9-14(11)16(17)18)19-10-13-6-4-3-5-7-13/h3-9,17-18H,10H2,1-2H3
InChIKeyAOJMOYRMJOISMN-UHFFFAOYSA-N
MW256.11 g/mol
LogP1.56
Rot. Bonds4

About (2,4-dimethyl-5-phenylmethoxyphenyl)boronic acid

(2,4-dimethyl-5-phenylmethoxyphenyl)boronic acid (PubChem CID 164892116) has the molecular formula C15H17BO3 and a molecular weight of 256.11 g/mol. Its IUPAC name is (2,4-dimethyl-5-phenylmethoxyphenyl)boronic acid.

Molecular Properties

Compound Name(2,4-dimethyl-5-phenylmethoxyphenyl)boronic acid
PubChem CID164892116
Molecular FormulaC15H17BO3
Molecular Weight256.11 g/mol
Exact Mass256.13
IUPAC Name(2,4-dimethyl-5-phenylmethoxyphenyl)boronic acid
SMILESCc1cc(C)c(B(O)O)cc1OCc1ccccc1
InChIInChI=1S/C15H17BO3/c1-11-8-12(2)15(9-14(11)16(17)18)19-10-13-6-4-3-5-7-13/h3-9,17-18H,10H2,1-2H3
InChIKeyAOJMOYRMJOISMN-UHFFFAOYSA-N
XLogP1.56
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.11
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2,4-dimethyl-5-phenylmethoxyphenyl)boronic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-4-phenylmethoxybenzoic acid
CID 53471145
2-fluoro-5-methyl-4-phenylmethoxybenzoic acid
CID 163198021
2-bromo-5-methyl-4-phenylmethoxybenzoic acid
CID 151110927
[4-chloro-2-methyl-5-(pyridin-3-ylmethoxy)phenyl]boronic acid
CID 56776616
(2-methyl-4-phenylmethoxyphenoxy)boronic acid
CID 142688338
(2-phenylmethoxy-5-propan-2-ylphenyl)boronic acid
CID 163353622
6,19-dimethyl-5,20-bis(phenylmethoxy)pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaene
CID 102507798
2-(4-methyl-3-phenylmethoxyphenyl)ethanol
CID 117358003
(3-fluoro-4-methyl-5-phenylmethoxyphenyl)boronic acid
CID 163353611
2-methoxy-4-methyl-5-phenylmethoxybenzaldehyde
CID 71394668
2-methyl-4-(4-methylphenyl)-1-phenylmethoxybenzene
CID 142190093
2-methyl-4,6-bis(phenylmethoxy)phenol
CID 11301646

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-5-phenylmethoxyphenyl)boronic acid?
The IUPAC name of (2,4-dimethyl-5-phenylmethoxyphenyl)boronic acid (CID 164892116) is (2,4-dimethyl-5-phenylmethoxyphenyl)boronic acid.
What is the SMILES notation for (2,4-dimethyl-5-phenylmethoxyphenyl)boronic acid?
The canonical SMILES for (2,4-dimethyl-5-phenylmethoxyphenyl)boronic acid is Cc1cc(C)c(B(O)O)cc1OCc1ccccc1.
What is the InChIKey of (2,4-dimethyl-5-phenylmethoxyphenyl)boronic acid?
The InChIKey is AOJMOYRMJOISMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BO3/c1-11-8-12(2)15(9-14(11)16(17)18)19-10-13-6-4-3-5-7-13/h3-9,17-18H,10H2,1-2H3.
What are the key properties of (2,4-dimethyl-5-phenylmethoxyphenyl)boronic acid?
(2,4-dimethyl-5-phenylmethoxyphenyl)boronic acid has a molecular weight of 256.11 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-5-phenylmethoxyphenyl)boronic acid is sourced from PubChem (CID 164892116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).