(2-methoxyphenyl)methylperoxy-phenylborinic acid

C14H15BO4 — CID 87565141

IUPAC(2-methoxyphenyl)methylperoxy-phenylborinic acid
SMILESCOc1ccccc1COOB(O)c1ccccc1
InChIInChI=1S/C14H15BO4/c1-17-14-10-6-5-7-12(14)11-18-19-15(16)13-8-3-2-4-9-13/h2-10,16H,11H2,1H3
InChIKeyJCBOGONJNIXJER-UHFFFAOYSA-N
MW258.08 g/mol
LogP1.53
Rot. Bonds6

About (2-methoxyphenyl)methylperoxy-phenylborinic acid

(2-methoxyphenyl)methylperoxy-phenylborinic acid (PubChem CID 87565141) has the molecular formula C14H15BO4 and a molecular weight of 258.08 g/mol. Its IUPAC name is (2-methoxyphenyl)methylperoxy-phenylborinic acid.

Molecular Properties

Compound Name(2-methoxyphenyl)methylperoxy-phenylborinic acid
PubChem CID87565141
Molecular FormulaC14H15BO4
Molecular Weight258.08 g/mol
Exact Mass258.11
IUPAC Name(2-methoxyphenyl)methylperoxy-phenylborinic acid
SMILESCOc1ccccc1COOB(O)c1ccccc1
InChIInChI=1S/C14H15BO4/c1-17-14-10-6-5-7-12(14)11-18-19-15(16)13-8-3-2-4-9-13/h2-10,16H,11H2,1H3
InChIKeyJCBOGONJNIXJER-UHFFFAOYSA-N
XLogP1.53
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.08
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze (2-methoxyphenyl)methylperoxy-phenylborinic 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

N-[(2-methoxyphenyl)methoxy]methanamine
CID 105433405
(2-(111C)methoxyphenyl)methanol
CID 59897789
(2-methoxyphenyl)methyl 2-(4-methoxyphenyl)acetate
CID 78760060
(2R)-1-(2-methoxyphenyl)propan-2-ol
CID 6951555
2-[(2-methoxyphenyl)methoxy]-1,3-dimethylbenzene
CID 70895147
(2-methoxyphenyl)methyl 2-[[1-[(2-methoxyphenyl)methoxy]-1-oxopropan-2-yl]disulfanyl]propanoate
CID 22418608
ethane;1-methoxy-2-(propan-2-yloxymethyl)benzene
CID 154665730
2-(methoxymethyl)phenol;(2-methoxyphenyl)methanol
CID 138113041
1-bromo-4-[(2-methoxyphenyl)methoxy]benzene
CID 54940328
1-methoxy-2-[2-[2-(2-methoxyphenyl)ethyldisulfanyl]ethyl]benzene
CID 175444939
2-[2-(2-methoxyphenyl)ethyl]phenol
CID 10775715
1-iodo-2-[(2-methoxyphenyl)methoxy]benzene
CID 54942072

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)methylperoxy-phenylborinic acid?
The IUPAC name of (2-methoxyphenyl)methylperoxy-phenylborinic acid (CID 87565141) is (2-methoxyphenyl)methylperoxy-phenylborinic acid.
What is the SMILES notation for (2-methoxyphenyl)methylperoxy-phenylborinic acid?
The canonical SMILES for (2-methoxyphenyl)methylperoxy-phenylborinic acid is COc1ccccc1COOB(O)c1ccccc1.
What is the InChIKey of (2-methoxyphenyl)methylperoxy-phenylborinic acid?
The InChIKey is JCBOGONJNIXJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BO4/c1-17-14-10-6-5-7-12(14)11-18-19-15(16)13-8-3-2-4-9-13/h2-10,16H,11H2,1H3.
What are the key properties of (2-methoxyphenyl)methylperoxy-phenylborinic acid?
(2-methoxyphenyl)methylperoxy-phenylborinic acid has a molecular weight of 258.08 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)methylperoxy-phenylborinic acid is sourced from PubChem (CID 87565141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).