[2,3-bis(4-methoxyphenyl)phenyl]boronic acid

C20H19BO4 — CID 175811193

IUPAC[2,3-bis(4-methoxyphenyl)phenyl]boronic acid
SMILESCOc1ccc(-c2cccc(B(O)O)c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H19BO4/c1-24-16-10-6-14(7-11-16)18-4-3-5-19(21(22)23)20(18)15-8-12-17(25-2)13-9-15/h3-13,22-23H,1-2H3
InChIKeyOMYQNTBZJJSBID-UHFFFAOYSA-N
MW334.18 g/mol
LogP2.72
Rot. Bonds5

About [2,3-bis(4-methoxyphenyl)phenyl]boronic acid

[2,3-bis(4-methoxyphenyl)phenyl]boronic acid (PubChem CID 175811193) has the molecular formula C20H19BO4 and a molecular weight of 334.18 g/mol. Its IUPAC name is [2,3-bis(4-methoxyphenyl)phenyl]boronic acid.

Molecular Properties

Compound Name[2,3-bis(4-methoxyphenyl)phenyl]boronic acid
PubChem CID175811193
Molecular FormulaC20H19BO4
Molecular Weight334.18 g/mol
Exact Mass334.14
IUPAC Name[2,3-bis(4-methoxyphenyl)phenyl]boronic acid
SMILESCOc1ccc(-c2cccc(B(O)O)c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H19BO4/c1-24-16-10-6-14(7-11-16)18-4-3-5-19(21(22)23)20(18)15-8-12-17(25-2)13-9-15/h3-13,22-23H,1-2H3
InChIKeyOMYQNTBZJJSBID-UHFFFAOYSA-N
XLogP2.72
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.18
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-2,3-bis(4-methoxyphenyl)benzene
CID 54211857
1-(4-chlorophenyl)-2-(4-methoxyphenyl)-3-phenylbenzene
CID 173189759
2-[[2-hydroxy-3-(4-methoxyphenyl)phenyl]disulfanyl]-6-(4-methoxyphenyl)phenol
CID 161150699
2-[[2,6-bis(4-methoxyphenyl)phenyl]disulfanyl]-1,3-bis(4-methoxyphenyl)benzene
CID 87488450
1-(4-methoxyphenyl)-5-(4-methylphenyl)naphthalene
CID 142669243
1,3-bis(4-methoxyphenyl)-2-methylsulfanylbenzene
CID 50916407
2-(4-methoxyphenyl)-1-naphthalen-1-ylnaphthalene
CID 10737250
1,2-difluoro-3-(4-methoxyphenyl)benzene
CID 59532996
1-[4-(4-methoxyphenyl)phenyl]-2,4,6-triphenyl-3,5-bis(4-phenylphenyl)benzene
CID 138981847
3-(4-methoxyphenyl)phthalaldehyde
CID 174870899
3-chloro-1,2-bis(4-chlorophenyl)-4-(4-methoxyphenyl)benzene
CID 57130266
3-chloro-2-(4-methoxyphenyl)phenol
CID 101453528

Frequently Asked Questions

What is the IUPAC name of [2,3-bis(4-methoxyphenyl)phenyl]boronic acid?
The IUPAC name of [2,3-bis(4-methoxyphenyl)phenyl]boronic acid (CID 175811193) is [2,3-bis(4-methoxyphenyl)phenyl]boronic acid.
What is the SMILES notation for [2,3-bis(4-methoxyphenyl)phenyl]boronic acid?
The canonical SMILES for [2,3-bis(4-methoxyphenyl)phenyl]boronic acid is COc1ccc(-c2cccc(B(O)O)c2-c2ccc(OC)cc2)cc1.
What is the InChIKey of [2,3-bis(4-methoxyphenyl)phenyl]boronic acid?
The InChIKey is OMYQNTBZJJSBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BO4/c1-24-16-10-6-14(7-11-16)18-4-3-5-19(21(22)23)20(18)15-8-12-17(25-2)13-9-15/h3-13,22-23H,1-2H3.
What are the key properties of [2,3-bis(4-methoxyphenyl)phenyl]boronic acid?
[2,3-bis(4-methoxyphenyl)phenyl]boronic acid has a molecular weight of 334.18 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-bis(4-methoxyphenyl)phenyl]boronic acid is sourced from PubChem (CID 175811193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).