2-chlorophenolate

C6H4ClO- — CID 13031201

IUPAC2-chlorophenolate
SMILES[O-]c1ccccc1Cl
InChIInChI=1S/C6H5ClO/c7-5-3-1-2-4-6(5)8/h1-4,8H/p-1
InChIKeyISPYQTSUDJAMAB-UHFFFAOYSA-M
MW127.55 g/mol
LogP1.41
Rot. Bonds

About 2-chlorophenolate

2-chlorophenolate (PubChem CID 13031201) has the molecular formula C6H4ClO- and a molecular weight of 127.55 g/mol. Its IUPAC name is 2-chlorophenolate.

Molecular Properties

Compound Name2-chlorophenolate
PubChem CID13031201
Molecular FormulaC6H4ClO-
Molecular Weight127.55 g/mol
Exact Mass127.00
IUPAC Name2-chlorophenolate
SMILES[O-]c1ccccc1Cl
InChIInChI=1S/C6H5ClO/c7-5-3-1-2-4-6(5)8/h1-4,8H/p-1
InChIKeyISPYQTSUDJAMAB-UHFFFAOYSA-M
XLogP1.41
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.55
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chlorophenolate?
The IUPAC name of 2-chlorophenolate (CID 13031201) is 2-chlorophenolate.
What is the SMILES notation for 2-chlorophenolate?
The canonical SMILES for 2-chlorophenolate is [O-]c1ccccc1Cl.
What is the InChIKey of 2-chlorophenolate?
The InChIKey is ISPYQTSUDJAMAB-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H5ClO/c7-5-3-1-2-4-6(5)8/h1-4,8H/p-1.
What are the key properties of 2-chlorophenolate?
2-chlorophenolate has a molecular weight of 127.55 g/mol, XLogP of 1.41, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chlorophenolate is sourced from PubChem (CID 13031201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).