2,3,4,5,6-pentachlorophenol;yttrium

C6HCl5OY — CID 162524677

IUPAC2,3,4,5,6-pentachlorophenol;yttrium
SMILESOc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl.[Y]
InChIInChI=1S/C6HCl5O.Y/c7-1-2(8)4(10)6(12)5(11)3(1)9;/h12H;
InChIKeyYGOIMRKKWDPGQR-UHFFFAOYSA-N
MW355.24 g/mol
LogP4.66
Rot. Bonds

About 2,3,4,5,6-pentachlorophenol;yttrium

2,3,4,5,6-pentachlorophenol;yttrium (PubChem CID 162524677) has the molecular formula C6HCl5OY and a molecular weight of 355.24 g/mol. Its IUPAC name is 2,3,4,5,6-pentachlorophenol;yttrium.

Molecular Properties

Compound Name2,3,4,5,6-pentachlorophenol;yttrium
PubChem CID162524677
Molecular FormulaC6HCl5OY
Molecular Weight355.24 g/mol
Exact Mass352.75
IUPAC Name2,3,4,5,6-pentachlorophenol;yttrium
SMILESOc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl.[Y]
InChIInChI=1S/C6HCl5O.Y/c7-1-2(8)4(10)6(12)5(11)3(1)9;/h12H;
InChIKeyYGOIMRKKWDPGQR-UHFFFAOYSA-N
XLogP4.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.24
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentachlorophenol;yttrium?
The IUPAC name of 2,3,4,5,6-pentachlorophenol;yttrium (CID 162524677) is 2,3,4,5,6-pentachlorophenol;yttrium.
What is the SMILES notation for 2,3,4,5,6-pentachlorophenol;yttrium?
The canonical SMILES for 2,3,4,5,6-pentachlorophenol;yttrium is Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl.[Y].
What is the InChIKey of 2,3,4,5,6-pentachlorophenol;yttrium?
The InChIKey is YGOIMRKKWDPGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HCl5O.Y/c7-1-2(8)4(10)6(12)5(11)3(1)9;/h12H;.
What are the key properties of 2,3,4,5,6-pentachlorophenol;yttrium?
2,3,4,5,6-pentachlorophenol;yttrium has a molecular weight of 355.24 g/mol, XLogP of 4.66, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentachlorophenol;yttrium is sourced from PubChem (CID 162524677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).