(2-methoxyphenyl)boronic acid;(2,3,4,5,6-pentafluorophenyl)boronic acid

C13H11B2F5O5 — CID 172849713

IUPAC(2-methoxyphenyl)boronic acid;(2,3,4,5,6-pentafluorophenyl)boronic acid
SMILESCOc1ccccc1B(O)O.OB(O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C7H9BO3.C6H2BF5O2/c1-11-7-5-3-2-4-6(7)8(9)10;8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h2-5,9-10H,1H3;13-14H
InChIKeyXXDAYXHKQVRFFN-UHFFFAOYSA-N
MW363.84 g/mol
LogP-0.56
Rot. Bonds3

About (2-methoxyphenyl)boronic acid;(2,3,4,5,6-pentafluorophenyl)boronic acid

(2-methoxyphenyl)boronic acid;(2,3,4,5,6-pentafluorophenyl)boronic acid (PubChem CID 172849713) has the molecular formula C13H11B2F5O5 and a molecular weight of 363.84 g/mol. Its IUPAC name is (2-methoxyphenyl)boronic acid;(2,3,4,5,6-pentafluorophenyl)boronic acid.

Molecular Properties

Compound Name(2-methoxyphenyl)boronic acid;(2,3,4,5,6-pentafluorophenyl)boronic acid
PubChem CID172849713
Molecular FormulaC13H11B2F5O5
Molecular Weight363.84 g/mol
Exact Mass364.07
IUPAC Name(2-methoxyphenyl)boronic acid;(2,3,4,5,6-pentafluorophenyl)boronic acid
SMILESCOc1ccccc1B(O)O.OB(O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C7H9BO3.C6H2BF5O2/c1-11-7-5-3-2-4-6(7)8(9)10;8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h2-5,9-10H,1H3;13-14H
InChIKeyXXDAYXHKQVRFFN-UHFFFAOYSA-N
XLogP-0.56
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.84
LogP ≤ 5-0.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(2-methoxyphenyl)boronic acid
CID 2733958
(2-methoxyphenyl)boronic acid;toluene
CID 159956839
(2-fluoro-6-methoxyphenyl)boronic acid
CID 3294524
aminooxy-(2-methoxyphenyl)borinic acid
CID 141379819
bromooxy-(2-methoxyphenyl)borinic acid
CID 174742163
chlorooxy-(2-methoxyphenyl)borinic acid
CID 141079406
[2-(trifluoromethoxy)phenyl]boronic acid
CID 2777204
[2-fluoro-3-(trideuteriomethoxy)phenyl]boronic acid
CID 169440490
[2-(1,1-difluoroethoxy)phenyl]boronic acid
CID 143235545
(3-ethoxy-2-fluoro-6-methoxyphenyl)boronic acid
CID 164895481
[2-(3-fluorophenoxy)phenyl]boronic acid
CID 69091100
(2-ethoxyphenyl)boronic acid
CID 2734902

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)boronic acid;(2,3,4,5,6-pentafluorophenyl)boronic acid?
The IUPAC name of (2-methoxyphenyl)boronic acid;(2,3,4,5,6-pentafluorophenyl)boronic acid (CID 172849713) is (2-methoxyphenyl)boronic acid;(2,3,4,5,6-pentafluorophenyl)boronic acid.
What is the SMILES notation for (2-methoxyphenyl)boronic acid;(2,3,4,5,6-pentafluorophenyl)boronic acid?
The canonical SMILES for (2-methoxyphenyl)boronic acid;(2,3,4,5,6-pentafluorophenyl)boronic acid is COc1ccccc1B(O)O.OB(O)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of (2-methoxyphenyl)boronic acid;(2,3,4,5,6-pentafluorophenyl)boronic acid?
The InChIKey is XXDAYXHKQVRFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BO3.C6H2BF5O2/c1-11-7-5-3-2-4-6(7)8(9)10;8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h2-5,9-10H,1H3;13-14H.
What are the key properties of (2-methoxyphenyl)boronic acid;(2,3,4,5,6-pentafluorophenyl)boronic acid?
(2-methoxyphenyl)boronic acid;(2,3,4,5,6-pentafluorophenyl)boronic acid has a molecular weight of 363.84 g/mol, XLogP of -0.56, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)boronic acid;(2,3,4,5,6-pentafluorophenyl)boronic acid is sourced from PubChem (CID 172849713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).