2-chlorobenzene-1,4-diol

C6H5ClO2 — CID 301

IUPAC2-chlorobenzene-1,4-diol
SMILESOc1ccc(O)c(Cl)c1
InChIInChI=1S/C6H5ClO2/c7-5-3-4(8)1-2-6(5)9/h1-3,8-9H
InChIKeyAJPXTSMULZANCB-UHFFFAOYSA-N
MW144.56 g/mol
LogP1.75
Rot. Bonds

About 2-chlorobenzene-1,4-diol

2-chlorobenzene-1,4-diol (PubChem CID 301) has the molecular formula C6H5ClO2 and a molecular weight of 144.56 g/mol. Its IUPAC name is 2-chlorobenzene-1,4-diol.

Molecular Properties

Compound Name2-chlorobenzene-1,4-diol
PubChem CID301
Molecular FormulaC6H5ClO2
Molecular Weight144.56 g/mol
Exact Mass144.00
IUPAC Name2-chlorobenzene-1,4-diol
SMILESOc1ccc(O)c(Cl)c1
InChIInChI=1S/C6H5ClO2/c7-5-3-4(8)1-2-6(5)9/h1-3,8-9H
InChIKeyAJPXTSMULZANCB-UHFFFAOYSA-N
XLogP1.75
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.56
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chlorobenzene-1,4-diol?
The IUPAC name of 2-chlorobenzene-1,4-diol (CID 301) is 2-chlorobenzene-1,4-diol.
What is the SMILES notation for 2-chlorobenzene-1,4-diol?
The canonical SMILES for 2-chlorobenzene-1,4-diol is Oc1ccc(O)c(Cl)c1.
What is the InChIKey of 2-chlorobenzene-1,4-diol?
The InChIKey is AJPXTSMULZANCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClO2/c7-5-3-4(8)1-2-6(5)9/h1-3,8-9H.
What are the key properties of 2-chlorobenzene-1,4-diol?
2-chlorobenzene-1,4-diol has a molecular weight of 144.56 g/mol, XLogP of 1.75, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chlorobenzene-1,4-diol is sourced from PubChem (CID 301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).