(2-methoxyphenyl)borinic acid

C7H9BO2 — CID 143998271

IUPAC(2-methoxyphenyl)borinic acid
SMILESCOc1ccccc1BO
InChIInChI=1S/C7H9BO2/c1-10-7-5-3-2-4-6(7)8-9/h2-5,8-9H,1H3
InChIKeySNAVEZIPLNGTTH-UHFFFAOYSA-N
MW135.96 g/mol
LogP-0.34
Rot. Bonds2

About (2-methoxyphenyl)borinic acid

(2-methoxyphenyl)borinic acid (PubChem CID 143998271) has the molecular formula C7H9BO2 and a molecular weight of 135.96 g/mol. Its IUPAC name is (2-methoxyphenyl)borinic acid.

Molecular Properties

Compound Name(2-methoxyphenyl)borinic acid
PubChem CID143998271
Molecular FormulaC7H9BO2
Molecular Weight135.96 g/mol
Exact Mass136.07
IUPAC Name(2-methoxyphenyl)borinic acid
SMILESCOc1ccccc1BO
InChIInChI=1S/C7H9BO2/c1-10-7-5-3-2-4-6(7)8-9/h2-5,8-9H,1H3
InChIKeySNAVEZIPLNGTTH-UHFFFAOYSA-N
XLogP-0.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.96
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

azane;1,2-dimethoxybenzene
CID 174437926
1,2-dimethoxybenzene;dihydrochloride
CID 19834650
azane;2-methoxyphenol
CID 172717837
(2-(111C)methoxyphenyl)methanol
CID 59897789
(4-cyano-2-methoxyphenyl)borinic acid
CID 144769726
1,2-dimethoxybenzene;molecular nitrogen;hydrochloride
CID 173306958
methanethiol;2-methoxyphenol
CID 141484211
2-methoxyphenol;molecular bromine
CID 141484212
CID 135043978
CID 135043978
hydroxy-tris(2-methoxyphenyl)phosphanium
CID 87283102
formonitrile;2-methoxyphenol
CID 161059546
1,2-bis[2-(2-methoxyphenyl)ethynyl]benzene
CID 11313747

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)borinic acid?
The IUPAC name of (2-methoxyphenyl)borinic acid (CID 143998271) is (2-methoxyphenyl)borinic acid.
What is the SMILES notation for (2-methoxyphenyl)borinic acid?
The canonical SMILES for (2-methoxyphenyl)borinic acid is COc1ccccc1BO.
What is the InChIKey of (2-methoxyphenyl)borinic acid?
The InChIKey is SNAVEZIPLNGTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BO2/c1-10-7-5-3-2-4-6(7)8-9/h2-5,8-9H,1H3.
What are the key properties of (2-methoxyphenyl)borinic acid?
(2-methoxyphenyl)borinic acid has a molecular weight of 135.96 g/mol, XLogP of -0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)borinic acid is sourced from PubChem (CID 143998271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).