2-[tert-butyl-(3-methylphenoxy)phosphoryl]-5-methylphenol

C18H23O3P — CID 101490329

IUPAC2-[tert-butyl-(3-methylphenoxy)phosphoryl]-5-methylphenol
SMILESCc1cccc(OP(=O)(c2ccc(C)cc2O)C(C)(C)C)c1
InChIInChI=1S/C18H23O3P/c1-13-7-6-8-15(11-13)21-22(20,18(3,4)5)17-10-9-14(2)12-16(17)19/h6-12,19H,1-5H3
InChIKeyADOVLBIGONHTJJ-UHFFFAOYSA-N
MW318.35 g/mol
LogP4.79
Rot. Bonds3

About 2-[tert-butyl-(3-methylphenoxy)phosphoryl]-5-methylphenol

2-[tert-butyl-(3-methylphenoxy)phosphoryl]-5-methylphenol (PubChem CID 101490329) has the molecular formula C18H23O3P and a molecular weight of 318.35 g/mol. Its IUPAC name is 2-[tert-butyl-(3-methylphenoxy)phosphoryl]-5-methylphenol.

Molecular Properties

Compound Name2-[tert-butyl-(3-methylphenoxy)phosphoryl]-5-methylphenol
PubChem CID101490329
Molecular FormulaC18H23O3P
Molecular Weight318.35 g/mol
Exact Mass318.14
IUPAC Name2-[tert-butyl-(3-methylphenoxy)phosphoryl]-5-methylphenol
SMILESCc1cccc(OP(=O)(c2ccc(C)cc2O)C(C)(C)C)c1
InChIInChI=1S/C18H23O3P/c1-13-7-6-8-15(11-13)21-22(20,18(3,4)5)17-10-9-14(2)12-16(17)19/h6-12,19H,1-5H3
InChIKeyADOVLBIGONHTJJ-UHFFFAOYSA-N
XLogP4.79
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

azane;bis(3-methylphenyl) hydrogen phosphate
CID 2843505
hydroxy-methyl-(3-methylphenoxy)-sulfanylidene-λ5-phosphane
CID 21154482
1-dimethylphosphoryloxy-3-methylbenzene
CID 23081729
bis(3-methylphenyl) (4-methylphenyl) phosphate;(3-methylphenyl) bis(4-methylphenyl) phosphate;tris(3-methylphenyl) phosphate;tris(4-methylphenyl) phosphate
CID 44630431
propan-2-yl (2S)-2-[[tert-butyl-(3-methylphenoxy)phosphoryl]amino]propanoate
CID 126647671
bis(4-chlorophenyl) (3-methylphenyl) phosphate
CID 6426541
1-bis(3-methylphenoxy)phosphorylpropan-2-one
CID 176899412
1-[butyl(ethoxy)phosphoryl]oxy-3-methylbenzene
CID 91739019
methyl (3-methylphenyl) phenyl phosphate
CID 21410402
2-hydroxy-4-methyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
CID 51193302
bis(3-methylphenyl) pentanedioate
CID 70246036
ethoxy (3-methylphenyl) hydrogen phosphate
CID 172816052

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl-(3-methylphenoxy)phosphoryl]-5-methylphenol?
The IUPAC name of 2-[tert-butyl-(3-methylphenoxy)phosphoryl]-5-methylphenol (CID 101490329) is 2-[tert-butyl-(3-methylphenoxy)phosphoryl]-5-methylphenol.
What is the SMILES notation for 2-[tert-butyl-(3-methylphenoxy)phosphoryl]-5-methylphenol?
The canonical SMILES for 2-[tert-butyl-(3-methylphenoxy)phosphoryl]-5-methylphenol is Cc1cccc(OP(=O)(c2ccc(C)cc2O)C(C)(C)C)c1.
What is the InChIKey of 2-[tert-butyl-(3-methylphenoxy)phosphoryl]-5-methylphenol?
The InChIKey is ADOVLBIGONHTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23O3P/c1-13-7-6-8-15(11-13)21-22(20,18(3,4)5)17-10-9-14(2)12-16(17)19/h6-12,19H,1-5H3.
What are the key properties of 2-[tert-butyl-(3-methylphenoxy)phosphoryl]-5-methylphenol?
2-[tert-butyl-(3-methylphenoxy)phosphoryl]-5-methylphenol has a molecular weight of 318.35 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-(3-methylphenoxy)phosphoryl]-5-methylphenol is sourced from PubChem (CID 101490329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).