(2-chloro-6-methoxyphenoxy)boronic acid

C7H8BClO4 — CID 142775747

IUPAC(2-chloro-6-methoxyphenoxy)boronic acid
SMILESCOc1cccc(Cl)c1OB(O)O
InChIInChI=1S/C7H8BClO4/c1-12-6-4-2-3-5(9)7(6)13-8(10)11/h2-4,10-11H,1H3
InChIKeyTUXZHAPTXYIMQK-UHFFFAOYSA-N
MW202.40 g/mol
LogP0.70
Rot. Bonds3

About (2-chloro-6-methoxyphenoxy)boronic acid

(2-chloro-6-methoxyphenoxy)boronic acid (PubChem CID 142775747) has the molecular formula C7H8BClO4 and a molecular weight of 202.40 g/mol. Its IUPAC name is (2-chloro-6-methoxyphenoxy)boronic acid.

Molecular Properties

Compound Name(2-chloro-6-methoxyphenoxy)boronic acid
PubChem CID142775747
Molecular FormulaC7H8BClO4
Molecular Weight202.40 g/mol
Exact Mass202.02
IUPAC Name(2-chloro-6-methoxyphenoxy)boronic acid
SMILESCOc1cccc(Cl)c1OB(O)O
InChIInChI=1S/C7H8BClO4/c1-12-6-4-2-3-5(9)7(6)13-8(10)11/h2-4,10-11H,1H3
InChIKeyTUXZHAPTXYIMQK-UHFFFAOYSA-N
XLogP0.70
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.40
LogP ≤ 50.70
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

CID 57455647
CID 57455647
1,2-dichloro-3-(2,6-dimethoxyphenoxy)benzene
CID 173291827
(5-chloro-2-methoxynaphthalen-1-yl)boronic acid
CID 168880110
(2-chloro-6-methoxyphenyl) propanoate
CID 67392608
1-chloro-2-methoxybenzene
CID 13011
1,3-dichloro-2-(2,3-dimethoxyphenyl)benzene
CID 16755069
(2R)-3-(2-chloro-6-methoxyphenoxy)propane-1,2-diol
CID 141307295
(3-chloro-2,6-dimethoxyphenyl)-(2-chloro-6-methoxyphenyl)methanone
CID 152725643
2-chloro-6-methoxybenzenethiol
CID 91874124
1-chloro-4-methoxynaphthalene
CID 606038
2-[2-(2-chlorophenoxy)ethoxy]-1,3-dimethoxybenzene
CID 2283961
1-chloro-9-methoxyphenanthrene
CID 174558891

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-methoxyphenoxy)boronic acid?
The IUPAC name of (2-chloro-6-methoxyphenoxy)boronic acid (CID 142775747) is (2-chloro-6-methoxyphenoxy)boronic acid.
What is the SMILES notation for (2-chloro-6-methoxyphenoxy)boronic acid?
The canonical SMILES for (2-chloro-6-methoxyphenoxy)boronic acid is COc1cccc(Cl)c1OB(O)O.
What is the InChIKey of (2-chloro-6-methoxyphenoxy)boronic acid?
The InChIKey is TUXZHAPTXYIMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BClO4/c1-12-6-4-2-3-5(9)7(6)13-8(10)11/h2-4,10-11H,1H3.
What are the key properties of (2-chloro-6-methoxyphenoxy)boronic acid?
(2-chloro-6-methoxyphenoxy)boronic acid has a molecular weight of 202.40 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-methoxyphenoxy)boronic acid is sourced from PubChem (CID 142775747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).