[2-tert-butyl-6-ethyl-4-(2-hydroxypropan-2-yl)phenyl] methyl hydrogen phosphite

C16H27O4P — CID 142032599

IUPAC[2-tert-butyl-6-ethyl-4-(2-hydroxypropan-2-yl)phenyl] methyl hydrogen phosphite
SMILESCCc1cc(C(C)(C)O)cc(C(C)(C)C)c1OP(O)OC
InChIInChI=1S/C16H27O4P/c1-8-11-9-12(16(5,6)17)10-13(15(2,3)4)14(11)20-21(18)19-7/h9-10,17-18H,8H2,1-7H3
InChIKeyKFFVBWJOIDSDPU-UHFFFAOYSA-N
MW314.36 g/mol
LogP4.02
Rot. Bonds5

About [2-tert-butyl-6-ethyl-4-(2-hydroxypropan-2-yl)phenyl] methyl hydrogen phosphite

[2-tert-butyl-6-ethyl-4-(2-hydroxypropan-2-yl)phenyl] methyl hydrogen phosphite (PubChem CID 142032599) has the molecular formula C16H27O4P and a molecular weight of 314.36 g/mol. Its IUPAC name is [2-tert-butyl-6-ethyl-4-(2-hydroxypropan-2-yl)phenyl] methyl hydrogen phosphite.

Molecular Properties

Compound Name[2-tert-butyl-6-ethyl-4-(2-hydroxypropan-2-yl)phenyl] methyl hydrogen phosphite
PubChem CID142032599
Molecular FormulaC16H27O4P
Molecular Weight314.36 g/mol
Exact Mass314.16
IUPAC Name[2-tert-butyl-6-ethyl-4-(2-hydroxypropan-2-yl)phenyl] methyl hydrogen phosphite
SMILESCCc1cc(C(C)(C)O)cc(C(C)(C)C)c1OP(O)OC
InChIInChI=1S/C16H27O4P/c1-8-11-9-12(16(5,6)17)10-13(15(2,3)4)14(11)20-21(18)19-7/h9-10,17-18H,8H2,1-7H3
InChIKeyKFFVBWJOIDSDPU-UHFFFAOYSA-N
XLogP4.02
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 54.02
H-Bond Donors ≤ 52
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-tert-butyl-6-ethyl-4-(2-hydroxypropan-2-yl)phenyl] methyl hydrogen phosphite?
The IUPAC name of [2-tert-butyl-6-ethyl-4-(2-hydroxypropan-2-yl)phenyl] methyl hydrogen phosphite (CID 142032599) is [2-tert-butyl-6-ethyl-4-(2-hydroxypropan-2-yl)phenyl] methyl hydrogen phosphite.
What is the SMILES notation for [2-tert-butyl-6-ethyl-4-(2-hydroxypropan-2-yl)phenyl] methyl hydrogen phosphite?
The canonical SMILES for [2-tert-butyl-6-ethyl-4-(2-hydroxypropan-2-yl)phenyl] methyl hydrogen phosphite is CCc1cc(C(C)(C)O)cc(C(C)(C)C)c1OP(O)OC.
What is the InChIKey of [2-tert-butyl-6-ethyl-4-(2-hydroxypropan-2-yl)phenyl] methyl hydrogen phosphite?
The InChIKey is KFFVBWJOIDSDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27O4P/c1-8-11-9-12(16(5,6)17)10-13(15(2,3)4)14(11)20-21(18)19-7/h9-10,17-18H,8H2,1-7H3.
What are the key properties of [2-tert-butyl-6-ethyl-4-(2-hydroxypropan-2-yl)phenyl] methyl hydrogen phosphite?
[2-tert-butyl-6-ethyl-4-(2-hydroxypropan-2-yl)phenyl] methyl hydrogen phosphite has a molecular weight of 314.36 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-tert-butyl-6-ethyl-4-(2-hydroxypropan-2-yl)phenyl] methyl hydrogen phosphite is sourced from PubChem (CID 142032599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).