(4-phenylmethoxy-1H-indazol-6-yl)boronic acid

C14H13BN2O3 — CID 155673029

IUPAC(4-phenylmethoxy-1H-indazol-6-yl)boronic acid
SMILESOB(O)c1cc(OCc2ccccc2)c2cn[nH]c2c1
InChIInChI=1S/C14H13BN2O3/c18-15(19)11-6-13-12(8-16-17-13)14(7-11)20-9-10-4-2-1-3-5-10/h1-8,18-19H,9H2,(H,16,17)
InChIKeyWRHMJBRNJVVFTG-UHFFFAOYSA-N
MW268.08 g/mol
LogP0.82
Rot. Bonds4

About (4-phenylmethoxy-1H-indazol-6-yl)boronic acid

(4-phenylmethoxy-1H-indazol-6-yl)boronic acid (PubChem CID 155673029) has the molecular formula C14H13BN2O3 and a molecular weight of 268.08 g/mol. Its IUPAC name is (4-phenylmethoxy-1H-indazol-6-yl)boronic acid.

Molecular Properties

Compound Name(4-phenylmethoxy-1H-indazol-6-yl)boronic acid
PubChem CID155673029
Molecular FormulaC14H13BN2O3
Molecular Weight268.08 g/mol
Exact Mass268.10
IUPAC Name(4-phenylmethoxy-1H-indazol-6-yl)boronic acid
SMILESOB(O)c1cc(OCc2ccccc2)c2cn[nH]c2c1
InChIInChI=1S/C14H13BN2O3/c18-15(19)11-6-13-12(8-16-17-13)14(7-11)20-9-10-4-2-1-3-5-10/h1-8,18-19H,9H2,(H,16,17)
InChIKeyWRHMJBRNJVVFTG-UHFFFAOYSA-N
XLogP0.82
TPSA78.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.08
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3-fluoro-4-methyl-5-phenylmethoxyphenyl)boronic acid
CID 163353611
(3,5-dichloro-4-phenylmethoxyphenyl)boronic acid
CID 4197353
4-(1H-indazol-6-yl)-2-phenylmethoxyphenol
CID 142654170
(4-methylsulfanyl-3-phenylmethoxyphenyl)boronic acid
CID 166604222
methyl-N-(1-methyl-4-phenylmethoxynaphthalen-2-yl)boronamidic acid
CID 20805129
2,3,6,7,10,11-hexakis(phenylmethoxy)triphenylene
CID 11040205
(4-phenylmethoxyphenyl)boronic acid
CID 2734314
(3-methoxy-5-phenylmethoxyphenyl)boronic acid
CID 102594232
4-phenylmethoxy-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 76847022
[3-fluoro-5-[(2-fluorophenoxy)methyl]phenyl]boronic acid
CID 79706409
[2-(4-phenylmethoxyphenyl)pyrimidin-5-yl]boronic acid
CID 22446906
6-chloro-4-phenylmethoxy-1H-indole
CID 170993763

Frequently Asked Questions

What is the IUPAC name of (4-phenylmethoxy-1H-indazol-6-yl)boronic acid?
The IUPAC name of (4-phenylmethoxy-1H-indazol-6-yl)boronic acid (CID 155673029) is (4-phenylmethoxy-1H-indazol-6-yl)boronic acid.
What is the SMILES notation for (4-phenylmethoxy-1H-indazol-6-yl)boronic acid?
The canonical SMILES for (4-phenylmethoxy-1H-indazol-6-yl)boronic acid is OB(O)c1cc(OCc2ccccc2)c2cn[nH]c2c1.
What is the InChIKey of (4-phenylmethoxy-1H-indazol-6-yl)boronic acid?
The InChIKey is WRHMJBRNJVVFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BN2O3/c18-15(19)11-6-13-12(8-16-17-13)14(7-11)20-9-10-4-2-1-3-5-10/h1-8,18-19H,9H2,(H,16,17).
What are the key properties of (4-phenylmethoxy-1H-indazol-6-yl)boronic acid?
(4-phenylmethoxy-1H-indazol-6-yl)boronic acid has a molecular weight of 268.08 g/mol, XLogP of 0.82, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylmethoxy-1H-indazol-6-yl)boronic acid is sourced from PubChem (CID 155673029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).