2-(chlorophosphanylmethyl)phenol

C7H8ClOP — CID 19104603

IUPAC2-(chlorophosphanylmethyl)phenol
SMILESOc1ccccc1CPCl
InChIInChI=1S/C7H8ClOP/c8-10-5-6-3-1-2-4-7(6)9/h1-4,9-10H,5H2
InChIKeyNPKGFJBGIVOMCD-UHFFFAOYSA-N
MW174.57 g/mol
LogP2.72
Rot. Bonds2

About 2-(chlorophosphanylmethyl)phenol

2-(chlorophosphanylmethyl)phenol (PubChem CID 19104603) has the molecular formula C7H8ClOP and a molecular weight of 174.57 g/mol. Its IUPAC name is 2-(chlorophosphanylmethyl)phenol.

Molecular Properties

Compound Name2-(chlorophosphanylmethyl)phenol
PubChem CID19104603
Molecular FormulaC7H8ClOP
Molecular Weight174.57 g/mol
Exact Mass174.00
IUPAC Name2-(chlorophosphanylmethyl)phenol
SMILESOc1ccccc1CPCl
InChIInChI=1S/C7H8ClOP/c8-10-5-6-3-1-2-4-7(6)9/h1-4,9-10H,5H2
InChIKeyNPKGFJBGIVOMCD-UHFFFAOYSA-N
XLogP2.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.57
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(chlorophosphanylmethyl)phenol?
The IUPAC name of 2-(chlorophosphanylmethyl)phenol (CID 19104603) is 2-(chlorophosphanylmethyl)phenol.
What is the SMILES notation for 2-(chlorophosphanylmethyl)phenol?
The canonical SMILES for 2-(chlorophosphanylmethyl)phenol is Oc1ccccc1CPCl.
What is the InChIKey of 2-(chlorophosphanylmethyl)phenol?
The InChIKey is NPKGFJBGIVOMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClOP/c8-10-5-6-3-1-2-4-7(6)9/h1-4,9-10H,5H2.
What are the key properties of 2-(chlorophosphanylmethyl)phenol?
2-(chlorophosphanylmethyl)phenol has a molecular weight of 174.57 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chlorophosphanylmethyl)phenol is sourced from PubChem (CID 19104603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).