2-chlorophenol

C6H5ClO — CID 7245

IUPAC2-chlorophenol
SMILESOc1ccccc1Cl
InChIInChI=1S/C6H5ClO/c7-5-3-1-2-4-6(5)8/h1-4,8H
InChIKeyISPYQTSUDJAMAB-UHFFFAOYSA-N
MW128.56 g/mol
LogP2.05
Rot. Bonds

About 2-chlorophenol

2-chlorophenol (PubChem CID 7245) has the molecular formula C6H5ClO and a molecular weight of 128.56 g/mol. Its IUPAC name is 2-chlorophenol.

Molecular Properties

Compound Name2-chlorophenol
PubChem CID7245
Molecular FormulaC6H5ClO
Molecular Weight128.56 g/mol
Exact Mass128.00
IUPAC Name2-chlorophenol
SMILESOc1ccccc1Cl
InChIInChI=1S/C6H5ClO/c7-5-3-1-2-4-6(5)8/h1-4,8H
InChIKeyISPYQTSUDJAMAB-UHFFFAOYSA-N
XLogP2.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.56
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chlorophenol?
The IUPAC name of 2-chlorophenol (CID 7245) is 2-chlorophenol.
What is the SMILES notation for 2-chlorophenol?
The canonical SMILES for 2-chlorophenol is Oc1ccccc1Cl.
What is the InChIKey of 2-chlorophenol?
The InChIKey is ISPYQTSUDJAMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClO/c7-5-3-1-2-4-6(5)8/h1-4,8H.
What are the key properties of 2-chlorophenol?
2-chlorophenol has a molecular weight of 128.56 g/mol, XLogP of 2.05, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chlorophenol is sourced from PubChem (CID 7245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).