(3-methoxyphenyl)boronic acid

C7H9BO3 — CID 2734370

IUPAC(3-methoxyphenyl)boronic acid
SMILESCOc1cccc(B(O)O)c1
InChIInChI=1S/C7H9BO3/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5,9-10H,1H3
InChIKeyNLLGFYPSWCMUIV-UHFFFAOYSA-N
MW151.96 g/mol
LogP-0.62
Rot. Bonds2

About (3-methoxyphenyl)boronic acid

(3-methoxyphenyl)boronic acid (PubChem CID 2734370) has the molecular formula C7H9BO3 and a molecular weight of 151.96 g/mol. Its IUPAC name is (3-methoxyphenyl)boronic acid.

Molecular Properties

Compound Name(3-methoxyphenyl)boronic acid
PubChem CID2734370
Molecular FormulaC7H9BO3
Molecular Weight151.96 g/mol
Exact Mass152.06
IUPAC Name(3-methoxyphenyl)boronic acid
SMILESCOc1cccc(B(O)O)c1
InChIInChI=1S/C7H9BO3/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5,9-10H,1H3
InChIKeyNLLGFYPSWCMUIV-UHFFFAOYSA-N
XLogP-0.62
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.96
LogP ≤ 5-0.62
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

bis(3-methoxyphenyl)borinic acid
CID 153354662
[3-(3-methoxyphenyl)phenyl]boronic acid
CID 23005394
[3-(methoxymethoxy)phenyl]boronic acid
CID 22606941
1,3-dimethoxybenzene;1,4-dimethoxybenzene
CID 91359455
CID 172849383
CID 172849383
azane;1,3-dimethoxybenzene
CID 70210283
tris(1,3-dimethoxybenzene);phosphane
CID 160853878
2,3-dimethylbutane-2,3-diol;(3-phenoxyphenyl)boronic acid
CID 138393559
[3-(3-chlorophenoxy)phenyl]boronic acid
CID 163253662
[6-(3-methoxyphenoxy)-3-pyridinyl]boronic acid
CID 74890632
[6-(3-methoxyphenyl)-3-pyridinyl]boronic acid
CID 131383111
(1R)-1-(4-bromophenyl)-2,2,2-trifluoroethanol;(3-methoxyphenyl)boronic acid;(1R)-2,2,2-trifluoro-1-[4-(3-methoxyphenyl)phenyl]ethanol
CID 158587134

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)boronic acid?
The IUPAC name of (3-methoxyphenyl)boronic acid (CID 2734370) is (3-methoxyphenyl)boronic acid.
What is the SMILES notation for (3-methoxyphenyl)boronic acid?
The canonical SMILES for (3-methoxyphenyl)boronic acid is COc1cccc(B(O)O)c1.
What is the InChIKey of (3-methoxyphenyl)boronic acid?
The InChIKey is NLLGFYPSWCMUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BO3/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5,9-10H,1H3.
What are the key properties of (3-methoxyphenyl)boronic acid?
(3-methoxyphenyl)boronic acid has a molecular weight of 151.96 g/mol, XLogP of -0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)boronic acid is sourced from PubChem (CID 2734370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).