2,3,4-trichloro-6-(phosphanylmethyl)phenol

C7H6Cl3OP — CID 165397528

IUPAC2,3,4-trichloro-6-(phosphanylmethyl)phenol
SMILESOc1c(CP)cc(Cl)c(Cl)c1Cl
InChIInChI=1S/C7H6Cl3OP/c8-4-1-3(2-12)7(11)6(10)5(4)9/h1,11H,2,12H2
InChIKeyULLRVMJMXBMMOM-UHFFFAOYSA-N
MW243.46 g/mol
LogP3.73
Rot. Bonds1

About 2,3,4-trichloro-6-(phosphanylmethyl)phenol

2,3,4-trichloro-6-(phosphanylmethyl)phenol (PubChem CID 165397528) has the molecular formula C7H6Cl3OP and a molecular weight of 243.46 g/mol. Its IUPAC name is 2,3,4-trichloro-6-(phosphanylmethyl)phenol.

Molecular Properties

Compound Name2,3,4-trichloro-6-(phosphanylmethyl)phenol
PubChem CID165397528
Molecular FormulaC7H6Cl3OP
Molecular Weight243.46 g/mol
Exact Mass241.92
IUPAC Name2,3,4-trichloro-6-(phosphanylmethyl)phenol
SMILESOc1c(CP)cc(Cl)c(Cl)c1Cl
InChIInChI=1S/C7H6Cl3OP/c8-4-1-3(2-12)7(11)6(10)5(4)9/h1,11H,2,12H2
InChIKeyULLRVMJMXBMMOM-UHFFFAOYSA-N
XLogP3.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.46
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-trichloro-6-(phosphanylmethyl)phenol?
The IUPAC name of 2,3,4-trichloro-6-(phosphanylmethyl)phenol (CID 165397528) is 2,3,4-trichloro-6-(phosphanylmethyl)phenol.
What is the SMILES notation for 2,3,4-trichloro-6-(phosphanylmethyl)phenol?
The canonical SMILES for 2,3,4-trichloro-6-(phosphanylmethyl)phenol is Oc1c(CP)cc(Cl)c(Cl)c1Cl.
What is the InChIKey of 2,3,4-trichloro-6-(phosphanylmethyl)phenol?
The InChIKey is ULLRVMJMXBMMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl3OP/c8-4-1-3(2-12)7(11)6(10)5(4)9/h1,11H,2,12H2.
What are the key properties of 2,3,4-trichloro-6-(phosphanylmethyl)phenol?
2,3,4-trichloro-6-(phosphanylmethyl)phenol has a molecular weight of 243.46 g/mol, XLogP of 3.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trichloro-6-(phosphanylmethyl)phenol is sourced from PubChem (CID 165397528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).