2-hydroxyphenolate

C6H5O2- — CID 11953850

IUPAC2-hydroxyphenolate
SMILES[O-]c1ccccc1O
InChIInChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H/p-1
InChIKeyYCIMNLLNPGFGHC-UHFFFAOYSA-M
MW109.10 g/mol
LogP0.47
Rot. Bonds

About 2-hydroxyphenolate

2-hydroxyphenolate (PubChem CID 11953850) has the molecular formula C6H5O2- and a molecular weight of 109.10 g/mol. Its IUPAC name is 2-hydroxyphenolate.

Molecular Properties

Compound Name2-hydroxyphenolate
PubChem CID11953850
Molecular FormulaC6H5O2-
Molecular Weight109.10 g/mol
Exact Mass109.03
IUPAC Name2-hydroxyphenolate
SMILES[O-]c1ccccc1O
InChIInChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H/p-1
InChIKeyYCIMNLLNPGFGHC-UHFFFAOYSA-M
XLogP0.47
TPSA43.29 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.10
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyphenolate?
The IUPAC name of 2-hydroxyphenolate (CID 11953850) is 2-hydroxyphenolate.
What is the SMILES notation for 2-hydroxyphenolate?
The canonical SMILES for 2-hydroxyphenolate is [O-]c1ccccc1O.
What is the InChIKey of 2-hydroxyphenolate?
The InChIKey is YCIMNLLNPGFGHC-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H/p-1.
What are the key properties of 2-hydroxyphenolate?
2-hydroxyphenolate has a molecular weight of 109.10 g/mol, XLogP of 0.47, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyphenolate is sourced from PubChem (CID 11953850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).