(3-chloro-4-hydroxy-5-methoxyphenyl)boronic acid

C7H8BClO4 — CID 53216587

IUPAC(3-chloro-4-hydroxy-5-methoxyphenyl)boronic acid
SMILESCOc1cc(B(O)O)cc(Cl)c1O
InChIInChI=1S/C7H8BClO4/c1-13-6-3-4(8(11)12)2-5(9)7(6)10/h2-3,10-12H,1H3
InChIKeyMHYWXPHADPZFNA-UHFFFAOYSA-N
MW202.40 g/mol
LogP-0.27
Rot. Bonds2

About (3-chloro-4-hydroxy-5-methoxyphenyl)boronic acid

(3-chloro-4-hydroxy-5-methoxyphenyl)boronic acid (PubChem CID 53216587) has the molecular formula C7H8BClO4 and a molecular weight of 202.40 g/mol. Its IUPAC name is (3-chloro-4-hydroxy-5-methoxyphenyl)boronic acid.

Molecular Properties

Compound Name(3-chloro-4-hydroxy-5-methoxyphenyl)boronic acid
PubChem CID53216587
Molecular FormulaC7H8BClO4
Molecular Weight202.40 g/mol
Exact Mass202.02
IUPAC Name(3-chloro-4-hydroxy-5-methoxyphenyl)boronic acid
SMILESCOc1cc(B(O)O)cc(Cl)c1O
InChIInChI=1S/C7H8BClO4/c1-13-6-3-4(8(11)12)2-5(9)7(6)10/h2-3,10-12H,1H3
InChIKeyMHYWXPHADPZFNA-UHFFFAOYSA-N
XLogP-0.27
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.40
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3-chloro-4-hydroxy-5-methoxyphenyl)boronic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3,4-dichloro-5-methoxyphenyl)boronic acid
CID 163201370
(3-chloro-4-hydroxy-5-methylphenyl)boronic acid
CID 164893215
(3-chloro-4,5-dihydroxyphenyl)boronic acid
CID 170900072
(3-chloro-4-methoxy-5-propan-2-yloxyphenyl)boronic acid
CID 56776637
6-chloro-2,3,4-trimethoxyphenol
CID 13442752
[3,5-dichloro-4-(4-chloro-2-methoxyphenoxy)phenyl]boronic acid
CID 156686350
(3-butoxy-5-chloro-4-methoxyphenyl)boronic acid
CID 56776645
2-chloro-1-(3-chloro-4-hydroxy-5-methoxyphenyl)ethanone
CID 82632368
4-[(1S)-1-amino-2,2-difluoroethyl]-2-chloro-6-methoxyphenol;hydrochloride
CID 171251487
4-[(1S)-1-amino-2,2-dimethylpropyl]-2-chloro-6-methoxyphenol;hydrochloride
CID 171244763
3-chloro-4-hydroxy-5-methoxybenzohydrazide
CID 67488577
(4-fluoro-3-methoxyphenyl)boronic acid
CID 44558185

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-hydroxy-5-methoxyphenyl)boronic acid?
The IUPAC name of (3-chloro-4-hydroxy-5-methoxyphenyl)boronic acid (CID 53216587) is (3-chloro-4-hydroxy-5-methoxyphenyl)boronic acid.
What is the SMILES notation for (3-chloro-4-hydroxy-5-methoxyphenyl)boronic acid?
The canonical SMILES for (3-chloro-4-hydroxy-5-methoxyphenyl)boronic acid is COc1cc(B(O)O)cc(Cl)c1O.
What is the InChIKey of (3-chloro-4-hydroxy-5-methoxyphenyl)boronic acid?
The InChIKey is MHYWXPHADPZFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BClO4/c1-13-6-3-4(8(11)12)2-5(9)7(6)10/h2-3,10-12H,1H3.
What are the key properties of (3-chloro-4-hydroxy-5-methoxyphenyl)boronic acid?
(3-chloro-4-hydroxy-5-methoxyphenyl)boronic acid has a molecular weight of 202.40 g/mol, XLogP of -0.27, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-hydroxy-5-methoxyphenyl)boronic acid is sourced from PubChem (CID 53216587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).