4-(phosphanylmethyl)phenol

C7H9OP — CID 58879736

IUPAC4-(phosphanylmethyl)phenol
SMILESOc1ccc(CP)cc1
InChIInChI=1S/C7H9OP/c8-7-3-1-6(5-9)2-4-7/h1-4,8H,5,9H2
InChIKeyKREBDPBSKKJBMK-UHFFFAOYSA-N
MW140.12 g/mol
LogP1.77
Rot. Bonds1

About 4-(phosphanylmethyl)phenol

4-(phosphanylmethyl)phenol (PubChem CID 58879736) has the molecular formula C7H9OP and a molecular weight of 140.12 g/mol. Its IUPAC name is 4-(phosphanylmethyl)phenol.

Molecular Properties

Compound Name4-(phosphanylmethyl)phenol
PubChem CID58879736
Molecular FormulaC7H9OP
Molecular Weight140.12 g/mol
Exact Mass140.04
IUPAC Name4-(phosphanylmethyl)phenol
SMILESOc1ccc(CP)cc1
InChIInChI=1S/C7H9OP/c8-7-3-1-6(5-9)2-4-7/h1-4,8H,5,9H2
InChIKeyKREBDPBSKKJBMK-UHFFFAOYSA-N
XLogP1.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.12
LogP ≤ 51.77
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 4-(phosphanylmethyl)phenol?
The IUPAC name of 4-(phosphanylmethyl)phenol (CID 58879736) is 4-(phosphanylmethyl)phenol.
What is the SMILES notation for 4-(phosphanylmethyl)phenol?
The canonical SMILES for 4-(phosphanylmethyl)phenol is Oc1ccc(CP)cc1.
What is the InChIKey of 4-(phosphanylmethyl)phenol?
The InChIKey is KREBDPBSKKJBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9OP/c8-7-3-1-6(5-9)2-4-7/h1-4,8H,5,9H2.
What are the key properties of 4-(phosphanylmethyl)phenol?
4-(phosphanylmethyl)phenol has a molecular weight of 140.12 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(phosphanylmethyl)phenol is sourced from PubChem (CID 58879736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).