(2-chloro-3,4,5,6-tetramethylphenyl)boronic acid

C10H14BClO2 — CID 174081656

IUPAC(2-chloro-3,4,5,6-tetramethylphenyl)boronic acid
SMILESCc1c(C)c(C)c(B(O)O)c(Cl)c1C
InChIInChI=1S/C10H14BClO2/c1-5-6(2)8(4)10(12)9(7(5)3)11(13)14/h13-14H,1-4H3
InChIKeyHYARQPGFPBBBBS-UHFFFAOYSA-N
MW212.48 g/mol
LogP1.25
Rot. Bonds1

About (2-chloro-3,4,5,6-tetramethylphenyl)boronic acid

(2-chloro-3,4,5,6-tetramethylphenyl)boronic acid (PubChem CID 174081656) has the molecular formula C10H14BClO2 and a molecular weight of 212.48 g/mol. Its IUPAC name is (2-chloro-3,4,5,6-tetramethylphenyl)boronic acid.

Molecular Properties

Compound Name(2-chloro-3,4,5,6-tetramethylphenyl)boronic acid
PubChem CID174081656
Molecular FormulaC10H14BClO2
Molecular Weight212.48 g/mol
Exact Mass212.08
IUPAC Name(2-chloro-3,4,5,6-tetramethylphenyl)boronic acid
SMILESCc1c(C)c(C)c(B(O)O)c(Cl)c1C
InChIInChI=1S/C10H14BClO2/c1-5-6(2)8(4)10(12)9(7(5)3)11(13)14/h13-14H,1-4H3
InChIKeyHYARQPGFPBBBBS-UHFFFAOYSA-N
XLogP1.25
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.48
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1,3,4,5,6,7,8-heptamethylnaphthalen-2-yl)boronic acid
CID 58590139
(2-fluoro-3,4,5,6-tetramethylphenyl)boronic acid
CID 18684948
(2,6-dichloro-4-methylphenyl)boronic acid
CID 57497248
1-chloro-2,3,5,6-tetramethyl-4-(2,3,4,5,6-pentamethylphenyl)benzene
CID 54008423
(2-chloro-3-fluoro-6-methylphenyl)boronic acid
CID 155905903
(2,3-dichloro-6-fluoro-4-methylphenyl)boronic acid
CID 131676872
1,2,3,4-tetrachloro-5,6-dimethylbenzene;dihydrochloride
CID 172812732
dimethyl-(2,3,4,5,6-pentamethylphenyl)borane
CID 59944476
(6-chloro-2-fluoro-3-methylphenyl)boronic acid
CID 3664842
(2-chloro-4-methylquinolin-3-yl)boronic acid
CID 22091752
(2,6-dichloro-3-methoxyphenyl)boronic acid
CID 57497288
(2,6-dichlorophenyl)boronic acid
CID 2734332

Frequently Asked Questions

What is the IUPAC name of (2-chloro-3,4,5,6-tetramethylphenyl)boronic acid?
The IUPAC name of (2-chloro-3,4,5,6-tetramethylphenyl)boronic acid (CID 174081656) is (2-chloro-3,4,5,6-tetramethylphenyl)boronic acid.
What is the SMILES notation for (2-chloro-3,4,5,6-tetramethylphenyl)boronic acid?
The canonical SMILES for (2-chloro-3,4,5,6-tetramethylphenyl)boronic acid is Cc1c(C)c(C)c(B(O)O)c(Cl)c1C.
What is the InChIKey of (2-chloro-3,4,5,6-tetramethylphenyl)boronic acid?
The InChIKey is HYARQPGFPBBBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BClO2/c1-5-6(2)8(4)10(12)9(7(5)3)11(13)14/h13-14H,1-4H3.
What are the key properties of (2-chloro-3,4,5,6-tetramethylphenyl)boronic acid?
(2-chloro-3,4,5,6-tetramethylphenyl)boronic acid has a molecular weight of 212.48 g/mol, XLogP of 1.25, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3,4,5,6-tetramethylphenyl)boronic acid is sourced from PubChem (CID 174081656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).