(4-methoxy-3-methylphenyl)boronic acid

C8H11BO3 — CID 2773487

IUPAC(4-methoxy-3-methylphenyl)boronic acid
SMILESCOc1ccc(B(O)O)cc1C
InChIInChI=1S/C8H11BO3/c1-6-5-7(9(10)11)3-4-8(6)12-2/h3-5,10-11H,1-2H3
InChIKeyPXVDQGVAZBTFIB-UHFFFAOYSA-N
MW165.98 g/mol
LogP-0.32
Rot. Bonds2

About (4-methoxy-3-methylphenyl)boronic acid

(4-methoxy-3-methylphenyl)boronic acid (PubChem CID 2773487) has the molecular formula C8H11BO3 and a molecular weight of 165.98 g/mol. Its IUPAC name is (4-methoxy-3-methylphenyl)boronic acid.

Molecular Properties

Compound Name(4-methoxy-3-methylphenyl)boronic acid
PubChem CID2773487
Molecular FormulaC8H11BO3
Molecular Weight165.98 g/mol
Exact Mass166.08
IUPAC Name(4-methoxy-3-methylphenyl)boronic acid
SMILESCOc1ccc(B(O)O)cc1C
InChIInChI=1S/C8H11BO3/c1-6-5-7(9(10)11)3-4-8(6)12-2/h3-5,10-11H,1-2H3
InChIKeyPXVDQGVAZBTFIB-UHFFFAOYSA-N
XLogP-0.32
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.98
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Anethole
CID 637563
Estragole
CID 8815
Mephenesin
CID 4059
O-Methoxycinnamaldehyde, (E)-
CID 641298
4-Methoxybenzyl alcohol
CID 7738
4-Methylanisole
CID 7731
3-Methoxytoluene
CID 7530
cis-Anethole
CID 1549040
Thymyl methyl ether
CID 14104
4-Propylanisole
CID 7702
2-Methylanisole
CID 33637
o-Cresyl acetate
CID 10778

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-3-methylphenyl)boronic acid?
The IUPAC name of (4-methoxy-3-methylphenyl)boronic acid (CID 2773487) is (4-methoxy-3-methylphenyl)boronic acid.
What is the SMILES notation for (4-methoxy-3-methylphenyl)boronic acid?
The canonical SMILES for (4-methoxy-3-methylphenyl)boronic acid is COc1ccc(B(O)O)cc1C.
What is the InChIKey of (4-methoxy-3-methylphenyl)boronic acid?
The InChIKey is PXVDQGVAZBTFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BO3/c1-6-5-7(9(10)11)3-4-8(6)12-2/h3-5,10-11H,1-2H3.
What are the key properties of (4-methoxy-3-methylphenyl)boronic acid?
(4-methoxy-3-methylphenyl)boronic acid has a molecular weight of 165.98 g/mol, XLogP of -0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-3-methylphenyl)boronic acid is sourced from PubChem (CID 2773487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).