(2-tert-butylphenyl)-dihydroxy-phenoxyphosphanium

C16H20O3P+ — CID 175108022

IUPAC(2-tert-butylphenyl)-dihydroxy-phenoxyphosphanium
SMILESCC(C)(C)c1ccccc1[P+](O)(O)Oc1ccccc1
InChIInChI=1S/C16H20O3P/c1-16(2,3)14-11-7-8-12-15(14)20(17,18)19-13-9-5-4-6-10-13/h4-12,17-18H,1-3H3/q+1
InChIKeyDHENWDDCGKCOPU-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.44
Rot. Bonds3

About (2-tert-butylphenyl)-dihydroxy-phenoxyphosphanium

(2-tert-butylphenyl)-dihydroxy-phenoxyphosphanium (PubChem CID 175108022) has the molecular formula C16H20O3P+ and a molecular weight of 291.31 g/mol. Its IUPAC name is (2-tert-butylphenyl)-dihydroxy-phenoxyphosphanium.

Molecular Properties

Compound Name(2-tert-butylphenyl)-dihydroxy-phenoxyphosphanium
PubChem CID175108022
Molecular FormulaC16H20O3P+
Molecular Weight291.31 g/mol
Exact Mass291.11
IUPAC Name(2-tert-butylphenyl)-dihydroxy-phenoxyphosphanium
SMILESCC(C)(C)c1ccccc1[P+](O)(O)Oc1ccccc1
InChIInChI=1S/C16H20O3P/c1-16(2,3)14-11-7-8-12-15(14)20(17,18)19-13-9-5-4-6-10-13/h4-12,17-18H,1-3H3/q+1
InChIKeyDHENWDDCGKCOPU-UHFFFAOYSA-N
XLogP3.44
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.44
H-Bond Donors ≤ 52
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 (2-tert-butylphenyl)-dihydroxy-phenoxyphosphanium?
The IUPAC name of (2-tert-butylphenyl)-dihydroxy-phenoxyphosphanium (CID 175108022) is (2-tert-butylphenyl)-dihydroxy-phenoxyphosphanium.
What is the SMILES notation for (2-tert-butylphenyl)-dihydroxy-phenoxyphosphanium?
The canonical SMILES for (2-tert-butylphenyl)-dihydroxy-phenoxyphosphanium is CC(C)(C)c1ccccc1[P+](O)(O)Oc1ccccc1.
What is the InChIKey of (2-tert-butylphenyl)-dihydroxy-phenoxyphosphanium?
The InChIKey is DHENWDDCGKCOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O3P/c1-16(2,3)14-11-7-8-12-15(14)20(17,18)19-13-9-5-4-6-10-13/h4-12,17-18H,1-3H3/q+1.
What are the key properties of (2-tert-butylphenyl)-dihydroxy-phenoxyphosphanium?
(2-tert-butylphenyl)-dihydroxy-phenoxyphosphanium has a molecular weight of 291.31 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butylphenyl)-dihydroxy-phenoxyphosphanium is sourced from PubChem (CID 175108022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).