2,4-ditert-butyl-6-[2-(3,5-ditert-butyl-2-hydroxyphenyl)ethyl]phenol;fluorophosphonous acid

C30H48FO4P — CID 87776014

IUPAC2,4-ditert-butyl-6-[2-(3,5-ditert-butyl-2-hydroxyphenyl)ethyl]phenol;fluorophosphonous acid
SMILESCC(C)(C)c1cc(CCc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1.OP(O)F
InChIInChI=1S/C30H46O2.FH2O2P/c1-27(2,3)21-15-19(25(31)23(17-21)29(7,8)9)13-14-20-16-22(28(4,5)6)18-24(26(20)32)30(10,11)12;1-4(2)3/h15-18,31-32H,13-14H2,1-12H3;2-3H
InChIKeyRSVUAWCWMMDGAU-UHFFFAOYSA-N
MW522.68 g/mol
LogP8.24
Rot. Bonds3

About 2,4-ditert-butyl-6-[2-(3,5-ditert-butyl-2-hydroxyphenyl)ethyl]phenol;fluorophosphonous acid

2,4-ditert-butyl-6-[2-(3,5-ditert-butyl-2-hydroxyphenyl)ethyl]phenol;fluorophosphonous acid (PubChem CID 87776014) has the molecular formula C30H48FO4P and a molecular weight of 522.68 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[2-(3,5-ditert-butyl-2-hydroxyphenyl)ethyl]phenol;fluorophosphonous acid.

Molecular Properties

Compound Name2,4-ditert-butyl-6-[2-(3,5-ditert-butyl-2-hydroxyphenyl)ethyl]phenol;fluorophosphonous acid
PubChem CID87776014
Molecular FormulaC30H48FO4P
Molecular Weight522.68 g/mol
Exact Mass522.33
IUPAC Name2,4-ditert-butyl-6-[2-(3,5-ditert-butyl-2-hydroxyphenyl)ethyl]phenol;fluorophosphonous acid
SMILESCC(C)(C)c1cc(CCc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1.OP(O)F
InChIInChI=1S/C30H46O2.FH2O2P/c1-27(2,3)21-15-19(25(31)23(17-21)29(7,8)9)13-14-20-16-22(28(4,5)6)18-24(26(20)32)30(10,11)12;1-4(2)3/h15-18,31-32H,13-14H2,1-12H3;2-3H
InChIKeyRSVUAWCWMMDGAU-UHFFFAOYSA-N
XLogP8.24
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.68
LogP ≤ 58.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[2-(3,5-ditert-butyl-2-hydroxyphenyl)ethyl]phenol;fluorophosphonous acid?
The IUPAC name of 2,4-ditert-butyl-6-[2-(3,5-ditert-butyl-2-hydroxyphenyl)ethyl]phenol;fluorophosphonous acid (CID 87776014) is 2,4-ditert-butyl-6-[2-(3,5-ditert-butyl-2-hydroxyphenyl)ethyl]phenol;fluorophosphonous acid.
What is the SMILES notation for 2,4-ditert-butyl-6-[2-(3,5-ditert-butyl-2-hydroxyphenyl)ethyl]phenol;fluorophosphonous acid?
The canonical SMILES for 2,4-ditert-butyl-6-[2-(3,5-ditert-butyl-2-hydroxyphenyl)ethyl]phenol;fluorophosphonous acid is CC(C)(C)c1cc(CCc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1.OP(O)F.
What is the InChIKey of 2,4-ditert-butyl-6-[2-(3,5-ditert-butyl-2-hydroxyphenyl)ethyl]phenol;fluorophosphonous acid?
The InChIKey is RSVUAWCWMMDGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H46O2.FH2O2P/c1-27(2,3)21-15-19(25(31)23(17-21)29(7,8)9)13-14-20-16-22(28(4,5)6)18-24(26(20)32)30(10,11)12;1-4(2)3/h15-18,31-32H,13-14H2,1-12H3;2-3H.
What are the key properties of 2,4-ditert-butyl-6-[2-(3,5-ditert-butyl-2-hydroxyphenyl)ethyl]phenol;fluorophosphonous acid?
2,4-ditert-butyl-6-[2-(3,5-ditert-butyl-2-hydroxyphenyl)ethyl]phenol;fluorophosphonous acid has a molecular weight of 522.68 g/mol, XLogP of 8.24, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-[2-(3,5-ditert-butyl-2-hydroxyphenyl)ethyl]phenol;fluorophosphonous acid is sourced from PubChem (CID 87776014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).