4-methoxy-2,3,5-trimethyl-6-phenylphenol;phosphoric acid

C16H21O6P — CID 160922447

IUPAC4-methoxy-2,3,5-trimethyl-6-phenylphenol;phosphoric acid
SMILESCOc1c(C)c(C)c(O)c(-c2ccccc2)c1C.O=P(O)(O)O
InChIInChI=1S/C16H18O2.H3O4P/c1-10-11(2)16(18-4)12(3)14(15(10)17)13-8-6-5-7-9-13;1-5(2,3)4/h5-9,17H,1-4H3;(H3,1,2,3,4)
InChIKeyQOFHCRNSUGLJOD-UHFFFAOYSA-N
MW340.31 g/mol
LogP3.06
Rot. Bonds2

About 4-methoxy-2,3,5-trimethyl-6-phenylphenol;phosphoric acid

4-methoxy-2,3,5-trimethyl-6-phenylphenol;phosphoric acid (PubChem CID 160922447) has the molecular formula C16H21O6P and a molecular weight of 340.31 g/mol. Its IUPAC name is 4-methoxy-2,3,5-trimethyl-6-phenylphenol;phosphoric acid.

Molecular Properties

Compound Name4-methoxy-2,3,5-trimethyl-6-phenylphenol;phosphoric acid
PubChem CID160922447
Molecular FormulaC16H21O6P
Molecular Weight340.31 g/mol
Exact Mass340.11
IUPAC Name4-methoxy-2,3,5-trimethyl-6-phenylphenol;phosphoric acid
SMILESCOc1c(C)c(C)c(O)c(-c2ccccc2)c1C.O=P(O)(O)O
InChIInChI=1S/C16H18O2.H3O4P/c1-10-11(2)16(18-4)12(3)14(15(10)17)13-8-6-5-7-9-13;1-5(2,3)4/h5-9,17H,1-4H3;(H3,1,2,3,4)
InChIKeyQOFHCRNSUGLJOD-UHFFFAOYSA-N
XLogP3.06
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 53.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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-methoxy-2,3,5-trimethyl-6-phenylphenol;phosphoric acid?
The IUPAC name of 4-methoxy-2,3,5-trimethyl-6-phenylphenol;phosphoric acid (CID 160922447) is 4-methoxy-2,3,5-trimethyl-6-phenylphenol;phosphoric acid.
What is the SMILES notation for 4-methoxy-2,3,5-trimethyl-6-phenylphenol;phosphoric acid?
The canonical SMILES for 4-methoxy-2,3,5-trimethyl-6-phenylphenol;phosphoric acid is COc1c(C)c(C)c(O)c(-c2ccccc2)c1C.O=P(O)(O)O.
What is the InChIKey of 4-methoxy-2,3,5-trimethyl-6-phenylphenol;phosphoric acid?
The InChIKey is QOFHCRNSUGLJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2.H3O4P/c1-10-11(2)16(18-4)12(3)14(15(10)17)13-8-6-5-7-9-13;1-5(2,3)4/h5-9,17H,1-4H3;(H3,1,2,3,4).
What are the key properties of 4-methoxy-2,3,5-trimethyl-6-phenylphenol;phosphoric acid?
4-methoxy-2,3,5-trimethyl-6-phenylphenol;phosphoric acid has a molecular weight of 340.31 g/mol, XLogP of 3.06, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,3,5-trimethyl-6-phenylphenol;phosphoric acid is sourced from PubChem (CID 160922447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).