4-(4-hydroxy-3,5-dimethylphenyl)phosphanyl-2,6-dimethylphenol

C16H19O2P — CID 146303412

IUPAC4-(4-hydroxy-3,5-dimethylphenyl)phosphanyl-2,6-dimethylphenol
SMILESCc1cc(Pc2cc(C)c(O)c(C)c2)cc(C)c1O
InChIInChI=1S/C16H19O2P/c1-9-5-13(6-10(2)15(9)17)19-14-7-11(3)16(18)12(4)8-14/h5-8,17-19H,1-4H3
InChIKeyILTJWANYICAKLM-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.96
Rot. Bonds2

About 4-(4-hydroxy-3,5-dimethylphenyl)phosphanyl-2,6-dimethylphenol

4-(4-hydroxy-3,5-dimethylphenyl)phosphanyl-2,6-dimethylphenol (PubChem CID 146303412) has the molecular formula C16H19O2P and a molecular weight of 274.30 g/mol. Its IUPAC name is 4-(4-hydroxy-3,5-dimethylphenyl)phosphanyl-2,6-dimethylphenol.

Molecular Properties

Compound Name4-(4-hydroxy-3,5-dimethylphenyl)phosphanyl-2,6-dimethylphenol
PubChem CID146303412
Molecular FormulaC16H19O2P
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name4-(4-hydroxy-3,5-dimethylphenyl)phosphanyl-2,6-dimethylphenol
SMILESCc1cc(Pc2cc(C)c(O)c(C)c2)cc(C)c1O
InChIInChI=1S/C16H19O2P/c1-9-5-13(6-10(2)15(9)17)19-14-7-11(3)16(18)12(4)8-14/h5-8,17-19H,1-4H3
InChIKeyILTJWANYICAKLM-UHFFFAOYSA-N
XLogP2.96
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(4-hydroxy-3,5-dimethylphenyl)phosphanyl-2,6-dimethylphenol?
The IUPAC name of 4-(4-hydroxy-3,5-dimethylphenyl)phosphanyl-2,6-dimethylphenol (CID 146303412) is 4-(4-hydroxy-3,5-dimethylphenyl)phosphanyl-2,6-dimethylphenol.
What is the SMILES notation for 4-(4-hydroxy-3,5-dimethylphenyl)phosphanyl-2,6-dimethylphenol?
The canonical SMILES for 4-(4-hydroxy-3,5-dimethylphenyl)phosphanyl-2,6-dimethylphenol is Cc1cc(Pc2cc(C)c(O)c(C)c2)cc(C)c1O.
What is the InChIKey of 4-(4-hydroxy-3,5-dimethylphenyl)phosphanyl-2,6-dimethylphenol?
The InChIKey is ILTJWANYICAKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19O2P/c1-9-5-13(6-10(2)15(9)17)19-14-7-11(3)16(18)12(4)8-14/h5-8,17-19H,1-4H3.
What are the key properties of 4-(4-hydroxy-3,5-dimethylphenyl)phosphanyl-2,6-dimethylphenol?
4-(4-hydroxy-3,5-dimethylphenyl)phosphanyl-2,6-dimethylphenol has a molecular weight of 274.30 g/mol, XLogP of 2.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-3,5-dimethylphenyl)phosphanyl-2,6-dimethylphenol is sourced from PubChem (CID 146303412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).