5-methyl-2-propan-2-ylphenol;phosphoric acid

C10H17O5P — CID 67743419

IUPAC5-methyl-2-propan-2-ylphenol;phosphoric acid
SMILESCc1ccc(C(C)C)c(O)c1.O=P(O)(O)O
InChIInChI=1S/C10H14O.H3O4P/c1-7(2)9-5-4-8(3)6-10(9)11;1-5(2,3)4/h4-7,11H,1-3H3;(H3,1,2,3,4)
InChIKeyRQUJRAAMQCOLRG-UHFFFAOYSA-N
MW248.21 g/mol
LogP1.90
Rot. Bonds1

About 5-methyl-2-propan-2-ylphenol;phosphoric acid

5-methyl-2-propan-2-ylphenol;phosphoric acid (PubChem CID 67743419) has the molecular formula C10H17O5P and a molecular weight of 248.21 g/mol. Its IUPAC name is 5-methyl-2-propan-2-ylphenol;phosphoric acid.

Molecular Properties

Compound Name5-methyl-2-propan-2-ylphenol;phosphoric acid
PubChem CID67743419
Molecular FormulaC10H17O5P
Molecular Weight248.21 g/mol
Exact Mass248.08
IUPAC Name5-methyl-2-propan-2-ylphenol;phosphoric acid
SMILESCc1ccc(C(C)C)c(O)c1.O=P(O)(O)O
InChIInChI=1S/C10H14O.H3O4P/c1-7(2)9-5-4-8(3)6-10(9)11;1-5(2,3)4/h4-7,11H,1-3H3;(H3,1,2,3,4)
InChIKeyRQUJRAAMQCOLRG-UHFFFAOYSA-N
XLogP1.90
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 51.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(5-methyl-2-propan-2-ylphenol);dihydroiodide
CID 69164517
5-methyl-2-propan-2-ylphenol;zinc
CID 160855786
cobalt;bis(5-methyl-2-propan-2-ylphenol)
CID 156896903
zinc;5-methyl-2-propan-2-ylphenol;oxygen(2-)
CID 162244199
5-methyl-2-propan-2-ylphenol;2,3,6-trimethylphenol
CID 70978775
1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylphenol;5-methyl-2-propan-2-ylphenol
CID 68551781
decan-1-ol;5-methyl-2-propan-2-ylphenol
CID 158013264
5-methyl-2-propan-2-ylphenol;octan-3-one
CID 69043830
2-(1-amino-2-methylpropyl)-5-methylphenol
CID 55283226
methyl (5-methyl-2-propan-2-ylphenyl) hydrogen phosphate
CID 174605575
2-[bis(4-methylphenyl)methyl]-5-methylphenol
CID 21115451
5-methyl-2-pentan-3-ylphenol
CID 67240040

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propan-2-ylphenol;phosphoric acid?
The IUPAC name of 5-methyl-2-propan-2-ylphenol;phosphoric acid (CID 67743419) is 5-methyl-2-propan-2-ylphenol;phosphoric acid.
What is the SMILES notation for 5-methyl-2-propan-2-ylphenol;phosphoric acid?
The canonical SMILES for 5-methyl-2-propan-2-ylphenol;phosphoric acid is Cc1ccc(C(C)C)c(O)c1.O=P(O)(O)O.
What is the InChIKey of 5-methyl-2-propan-2-ylphenol;phosphoric acid?
The InChIKey is RQUJRAAMQCOLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O.H3O4P/c1-7(2)9-5-4-8(3)6-10(9)11;1-5(2,3)4/h4-7,11H,1-3H3;(H3,1,2,3,4).
What are the key properties of 5-methyl-2-propan-2-ylphenol;phosphoric acid?
5-methyl-2-propan-2-ylphenol;phosphoric acid has a molecular weight of 248.21 g/mol, XLogP of 1.90, 1 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propan-2-ylphenol;phosphoric acid is sourced from PubChem (CID 67743419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).