4-[methyl(phenyl)phosphanyl]phenol

C13H13OP — CID 130033697

IUPAC4-[methyl(phenyl)phosphanyl]phenol
SMILESCP(c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C13H13OP/c1-15(12-5-3-2-4-6-12)13-9-7-11(14)8-10-13/h2-10,14H,1H3
InChIKeySOPVQDDOTLVUHA-UHFFFAOYSA-N
MW216.22 g/mol
LogP2.45
Rot. Bonds2

About 4-[methyl(phenyl)phosphanyl]phenol

4-[methyl(phenyl)phosphanyl]phenol (PubChem CID 130033697) has the molecular formula C13H13OP and a molecular weight of 216.22 g/mol. Its IUPAC name is 4-[methyl(phenyl)phosphanyl]phenol.

Molecular Properties

Compound Name4-[methyl(phenyl)phosphanyl]phenol
PubChem CID130033697
Molecular FormulaC13H13OP
Molecular Weight216.22 g/mol
Exact Mass216.07
IUPAC Name4-[methyl(phenyl)phosphanyl]phenol
SMILESCP(c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C13H13OP/c1-15(12-5-3-2-4-6-12)13-9-7-11(14)8-10-13/h2-10,14H,1H3
InChIKeySOPVQDDOTLVUHA-UHFFFAOYSA-N
XLogP2.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.22
LogP ≤ 52.45
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-[methyl(phenyl)phosphanyl]phenol?
The IUPAC name of 4-[methyl(phenyl)phosphanyl]phenol (CID 130033697) is 4-[methyl(phenyl)phosphanyl]phenol.
What is the SMILES notation for 4-[methyl(phenyl)phosphanyl]phenol?
The canonical SMILES for 4-[methyl(phenyl)phosphanyl]phenol is CP(c1ccccc1)c1ccc(O)cc1.
What is the InChIKey of 4-[methyl(phenyl)phosphanyl]phenol?
The InChIKey is SOPVQDDOTLVUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13OP/c1-15(12-5-3-2-4-6-12)13-9-7-11(14)8-10-13/h2-10,14H,1H3.
What are the key properties of 4-[methyl(phenyl)phosphanyl]phenol?
4-[methyl(phenyl)phosphanyl]phenol has a molecular weight of 216.22 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(phenyl)phosphanyl]phenol is sourced from PubChem (CID 130033697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).