phenol chloride

C6H6ClO- — CID 18429123

IUPACphenol chloride
SMILESOc1ccccc1.[Cl-]
InChIInChI=1S/C6H6O.ClH/c7-6-4-2-1-3-5-6;/h1-5,7H;1H/p-1
InChIKeyZXRCAYWYTOIRQS-UHFFFAOYSA-M
MW129.57 g/mol
LogP-1.60
Rot. Bonds

About phenol chloride

phenol chloride (PubChem CID 18429123) has the molecular formula C6H6ClO- and a molecular weight of 129.57 g/mol. Its IUPAC name is phenol chloride.

Molecular Properties

Compound Namephenol chloride
PubChem CID18429123
Molecular FormulaC6H6ClO-
Molecular Weight129.57 g/mol
Exact Mass129.01
IUPAC Namephenol chloride
SMILESOc1ccccc1.[Cl-]
InChIInChI=1S/C6H6O.ClH/c7-6-4-2-1-3-5-6;/h1-5,7H;1H/p-1
InChIKeyZXRCAYWYTOIRQS-UHFFFAOYSA-M
XLogP-1.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.57
LogP ≤ 5-1.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of phenol chloride?
The IUPAC name of phenol chloride (CID 18429123) is phenol chloride.
What is the SMILES notation for phenol chloride?
The canonical SMILES for phenol chloride is Oc1ccccc1.[Cl-].
What is the InChIKey of phenol chloride?
The InChIKey is ZXRCAYWYTOIRQS-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H6O.ClH/c7-6-4-2-1-3-5-6;/h1-5,7H;1H/p-1.
What are the key properties of phenol chloride?
phenol chloride has a molecular weight of 129.57 g/mol, XLogP of -1.60, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenol chloride is sourced from PubChem (CID 18429123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).