4-chlorobenzene-1,3-diol

C6H5ClO2 — CID 1731

IUPAC4-chlorobenzene-1,3-diol
SMILESOc1ccc(Cl)c(O)c1
InChIInChI=1S/C6H5ClO2/c7-5-2-1-4(8)3-6(5)9/h1-3,8-9H
InChIKeyJQVAPEJNIZULEK-UHFFFAOYSA-N
MW144.56 g/mol
LogP1.75
Rot. Bonds

About 4-chlorobenzene-1,3-diol

4-chlorobenzene-1,3-diol (PubChem CID 1731) has the molecular formula C6H5ClO2 and a molecular weight of 144.56 g/mol. Its IUPAC name is 4-chlorobenzene-1,3-diol.

Molecular Properties

Compound Name4-chlorobenzene-1,3-diol
PubChem CID1731
Molecular FormulaC6H5ClO2
Molecular Weight144.56 g/mol
Exact Mass144.00
IUPAC Name4-chlorobenzene-1,3-diol
SMILESOc1ccc(Cl)c(O)c1
InChIInChI=1S/C6H5ClO2/c7-5-2-1-4(8)3-6(5)9/h1-3,8-9H
InChIKeyJQVAPEJNIZULEK-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

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Related Compounds

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2-chloro-5-hydrazinylphenol
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2-chloro-5-hydroxybenzamide
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4-bromo-3-chlorophenol
CID 7018182
3-chloro-4-methylphenol
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Frequently Asked Questions

What is the IUPAC name of 4-chlorobenzene-1,3-diol?
The IUPAC name of 4-chlorobenzene-1,3-diol (CID 1731) is 4-chlorobenzene-1,3-diol.
What is the SMILES notation for 4-chlorobenzene-1,3-diol?
The canonical SMILES for 4-chlorobenzene-1,3-diol is Oc1ccc(Cl)c(O)c1.
What is the InChIKey of 4-chlorobenzene-1,3-diol?
The InChIKey is JQVAPEJNIZULEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClO2/c7-5-2-1-4(8)3-6(5)9/h1-3,8-9H.
What are the key properties of 4-chlorobenzene-1,3-diol?
4-chlorobenzene-1,3-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 4-chlorobenzene-1,3-diol is sourced from PubChem (CID 1731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).