phenol;dihydrate

C6H10O3 — CID 71346483

IUPACphenol;dihydrate
SMILESO.O.Oc1ccccc1
InChIInChI=1S/C6H6O.2H2O/c7-6-4-2-1-3-5-6;;/h1-5,7H;2*1H2
InChIKeyWYRNWLMLMJGFIR-UHFFFAOYSA-N
MW130.14 g/mol
LogP-0.26
Rot. Bonds

About phenol;dihydrate

phenol;dihydrate (PubChem CID 71346483) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is phenol;dihydrate.

Molecular Properties

Compound Namephenol;dihydrate
PubChem CID71346483
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Namephenol;dihydrate
SMILESO.O.Oc1ccccc1
InChIInChI=1S/C6H6O.2H2O/c7-6-4-2-1-3-5-6;;/h1-5,7H;2*1H2
InChIKeyWYRNWLMLMJGFIR-UHFFFAOYSA-N
XLogP-0.26
TPSA83.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of phenol;dihydrate?
The IUPAC name of phenol;dihydrate (CID 71346483) is phenol;dihydrate.
What is the SMILES notation for phenol;dihydrate?
The canonical SMILES for phenol;dihydrate is O.O.Oc1ccccc1.
What is the InChIKey of phenol;dihydrate?
The InChIKey is WYRNWLMLMJGFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O.2H2O/c7-6-4-2-1-3-5-6;;/h1-5,7H;2*1H2.
What are the key properties of phenol;dihydrate?
phenol;dihydrate has a molecular weight of 130.14 g/mol, XLogP of -0.26, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenol;dihydrate is sourced from PubChem (CID 71346483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).