(2-chloro-4-hydroxy-5-methylphenyl)boronic acid

C7H8BClO3 — CID 164895580

IUPAC(2-chloro-4-hydroxy-5-methylphenyl)boronic acid
SMILESCc1cc(B(O)O)c(Cl)cc1O
InChIInChI=1S/C7H8BClO3/c1-4-2-5(8(11)12)6(9)3-7(4)10/h2-3,10-12H,1H3
InChIKeyHQDPFWHIEYXTPW-UHFFFAOYSA-N
MW186.40 g/mol
LogP0.03
Rot. Bonds1

About (2-chloro-4-hydroxy-5-methylphenyl)boronic acid

(2-chloro-4-hydroxy-5-methylphenyl)boronic acid (PubChem CID 164895580) has the molecular formula C7H8BClO3 and a molecular weight of 186.40 g/mol. Its IUPAC name is (2-chloro-4-hydroxy-5-methylphenyl)boronic acid.

Molecular Properties

Compound Name(2-chloro-4-hydroxy-5-methylphenyl)boronic acid
PubChem CID164895580
Molecular FormulaC7H8BClO3
Molecular Weight186.40 g/mol
Exact Mass186.03
IUPAC Name(2-chloro-4-hydroxy-5-methylphenyl)boronic acid
SMILESCc1cc(B(O)O)c(Cl)cc1O
InChIInChI=1S/C7H8BClO3/c1-4-2-5(8(11)12)6(9)3-7(4)10/h2-3,10-12H,1H3
InChIKeyHQDPFWHIEYXTPW-UHFFFAOYSA-N
XLogP0.03
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.40
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2,4-dichloro-5-methylphenyl)boronic acid
CID 74888465
4-chloro-5-methylbenzene-1,2-diol
CID 23510503
7-chloro-3-methylnaphthalen-2-ol
CID 20595192
2-chloro-4-hydroxy-5-methylbenzonitrile;ethane
CID 145267621
5-chloro-4-(difluoromethyl)-2-methylphenol;ethane
CID 163241199
(4-chloro-2-hydroxy-5-methylphenoxy)boronic acid
CID 142793819
5-chloro-4-ethoxy-2-methylphenol
CID 82490779
(3-chloro-4-hydroxy-5-methylphenyl)boronic acid
CID 164893215
(4-chloro-5-fluoro-2-methylphenyl)boronic acid
CID 118995794
4-chloro-5-methoxy-2-methylphenol
CID 21341377
1-(2-chloro-4-hydroxy-5-methylphenyl)-2-methylpropan-1-one
CID 121321009
4-chloro-5-cyclopropyl-2-methylphenol
CID 118091954

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-hydroxy-5-methylphenyl)boronic acid?
The IUPAC name of (2-chloro-4-hydroxy-5-methylphenyl)boronic acid (CID 164895580) is (2-chloro-4-hydroxy-5-methylphenyl)boronic acid.
What is the SMILES notation for (2-chloro-4-hydroxy-5-methylphenyl)boronic acid?
The canonical SMILES for (2-chloro-4-hydroxy-5-methylphenyl)boronic acid is Cc1cc(B(O)O)c(Cl)cc1O.
What is the InChIKey of (2-chloro-4-hydroxy-5-methylphenyl)boronic acid?
The InChIKey is HQDPFWHIEYXTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BClO3/c1-4-2-5(8(11)12)6(9)3-7(4)10/h2-3,10-12H,1H3.
What are the key properties of (2-chloro-4-hydroxy-5-methylphenyl)boronic acid?
(2-chloro-4-hydroxy-5-methylphenyl)boronic acid has a molecular weight of 186.40 g/mol, XLogP of 0.03, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-hydroxy-5-methylphenyl)boronic acid is sourced from PubChem (CID 164895580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).