(3,5-dichloro-4-phenylmethoxyphenyl)boronic acid

C13H11BCl2O3 — CID 4197353

IUPAC(3,5-dichloro-4-phenylmethoxyphenyl)boronic acid
SMILESOB(O)c1cc(Cl)c(OCc2ccccc2)c(Cl)c1
InChIInChI=1S/C13H11BCl2O3/c15-11-6-10(14(17)18)7-12(16)13(11)19-8-9-4-2-1-3-5-9/h1-7,17-18H,8H2
InChIKeyBAXPPGSWZDNMOG-UHFFFAOYSA-N
MW296.95 g/mol
LogP2.25
Rot. Bonds4

About (3,5-dichloro-4-phenylmethoxyphenyl)boronic acid

(3,5-dichloro-4-phenylmethoxyphenyl)boronic acid (PubChem CID 4197353) has the molecular formula C13H11BCl2O3 and a molecular weight of 296.95 g/mol. Its IUPAC name is (3,5-dichloro-4-phenylmethoxyphenyl)boronic acid.

Molecular Properties

Compound Name(3,5-dichloro-4-phenylmethoxyphenyl)boronic acid
PubChem CID4197353
Molecular FormulaC13H11BCl2O3
Molecular Weight296.95 g/mol
Exact Mass296.02
IUPAC Name(3,5-dichloro-4-phenylmethoxyphenyl)boronic acid
SMILESOB(O)c1cc(Cl)c(OCc2ccccc2)c(Cl)c1
InChIInChI=1S/C13H11BCl2O3/c15-11-6-10(14(17)18)7-12(16)13(11)19-8-9-4-2-1-3-5-9/h1-7,17-18H,8H2
InChIKeyBAXPPGSWZDNMOG-UHFFFAOYSA-N
XLogP2.25
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.95
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3,5-dichloro-4-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

3,5-dichloro-4-phenylmethoxybenzoyl chloride
CID 11255525
3,5-dichloro-4-[(4-phenylphenyl)methoxy]phenol
CID 54314779
(4-phenylmethoxyphenyl)boronic acid
CID 2734314
(3-methoxy-5-phenylmethoxyphenyl)boronic acid
CID 102594232
1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-2-phenylmethoxybenzene
CID 54079745
2-[(3,5-dichloro-4-phenylmethoxyphenyl)methylamino]ethanol;hydrochloride
CID 17196015
2-(3,5-dichloro-4-phenylmethoxyphenyl)-N-methylethanamine
CID 82550820
(E)-3-(3,5-dichloro-4-phenylmethoxyphenyl)-2-methylprop-2-enoic acid
CID 170873346
1-chloro-3-methyl-2-phenylmethoxybenzene
CID 71366901
[4-[(4-chlorophenyl)methoxy]-3,5-dimethylphenyl]boronic acid;molecular hydrogen
CID 157399619
(3-fluoro-4-methyl-5-phenylmethoxyphenyl)boronic acid
CID 163353611
[3-[(4-chloro-2,6-dimethylphenoxy)methyl]phenyl]boronic acid
CID 63456607

Frequently Asked Questions

What is the IUPAC name of (3,5-dichloro-4-phenylmethoxyphenyl)boronic acid?
The IUPAC name of (3,5-dichloro-4-phenylmethoxyphenyl)boronic acid (CID 4197353) is (3,5-dichloro-4-phenylmethoxyphenyl)boronic acid.
What is the SMILES notation for (3,5-dichloro-4-phenylmethoxyphenyl)boronic acid?
The canonical SMILES for (3,5-dichloro-4-phenylmethoxyphenyl)boronic acid is OB(O)c1cc(Cl)c(OCc2ccccc2)c(Cl)c1.
What is the InChIKey of (3,5-dichloro-4-phenylmethoxyphenyl)boronic acid?
The InChIKey is BAXPPGSWZDNMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BCl2O3/c15-11-6-10(14(17)18)7-12(16)13(11)19-8-9-4-2-1-3-5-9/h1-7,17-18H,8H2.
What are the key properties of (3,5-dichloro-4-phenylmethoxyphenyl)boronic acid?
(3,5-dichloro-4-phenylmethoxyphenyl)boronic acid has a molecular weight of 296.95 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichloro-4-phenylmethoxyphenyl)boronic acid is sourced from PubChem (CID 4197353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).