phenol;chloride

C12H12ClO2- — CID 23313261

IUPACphenol;chloride
SMILESOc1ccccc1.Oc1ccccc1.[Cl-]
InChIInChI=1S/2C6H6O.ClH/c2*7-6-4-2-1-3-5-6;/h2*1-5,7H;1H/p-1
InChIKeyMMEXDJOSPVPDGS-UHFFFAOYSA-M
MW223.68 g/mol
LogP-0.21
Rot. Bonds

About phenol;chloride

phenol;chloride (PubChem CID 23313261) has the molecular formula C12H12ClO2- and a molecular weight of 223.68 g/mol. Its IUPAC name is phenol;chloride.

Molecular Properties

Compound Namephenol;chloride
PubChem CID23313261
Molecular FormulaC12H12ClO2-
Molecular Weight223.68 g/mol
Exact Mass223.05
IUPAC Namephenol;chloride
SMILESOc1ccccc1.Oc1ccccc1.[Cl-]
InChIInChI=1S/2C6H6O.ClH/c2*7-6-4-2-1-3-5-6;/h2*1-5,7H;1H/p-1
InChIKeyMMEXDJOSPVPDGS-UHFFFAOYSA-M
XLogP-0.21
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.68
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of phenol;chloride?
The IUPAC name of phenol;chloride (CID 23313261) is phenol;chloride.
What is the SMILES notation for phenol;chloride?
The canonical SMILES for phenol;chloride is Oc1ccccc1.Oc1ccccc1.[Cl-].
What is the InChIKey of phenol;chloride?
The InChIKey is MMEXDJOSPVPDGS-UHFFFAOYSA-M. The full InChI is InChI=1S/2C6H6O.ClH/c2*7-6-4-2-1-3-5-6;/h2*1-5,7H;1H/p-1.
What are the key properties of phenol;chloride?
phenol;chloride has a molecular weight of 223.68 g/mol, XLogP of -0.21, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenol;chloride is sourced from PubChem (CID 23313261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).