1-adamantyloxy-(4-methylphenyl)-oxophosphanium

C17H22O2P+ — CID 177441069

IUPAC1-adamantyloxy-(4-methylphenyl)-oxophosphanium
SMILESCc1ccc([P+](=O)OC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C17H22O2P/c1-12-2-4-16(5-3-12)20(18)19-17-9-13-6-14(10-17)8-15(7-13)11-17/h2-5,13-15H,6-11H2,1H3/q+1
InChIKeyOOMKLXFMXZKENP-UHFFFAOYSA-N
MW289.33 g/mol
LogP4.35
Rot. Bonds3

About 1-adamantyloxy-(4-methylphenyl)-oxophosphanium

1-adamantyloxy-(4-methylphenyl)-oxophosphanium (PubChem CID 177441069) has the molecular formula C17H22O2P+ and a molecular weight of 289.33 g/mol. Its IUPAC name is 1-adamantyloxy-(4-methylphenyl)-oxophosphanium.

Molecular Properties

Compound Name1-adamantyloxy-(4-methylphenyl)-oxophosphanium
PubChem CID177441069
Molecular FormulaC17H22O2P+
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name1-adamantyloxy-(4-methylphenyl)-oxophosphanium
SMILESCc1ccc([P+](=O)OC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C17H22O2P/c1-12-2-4-16(5-3-12)20(18)19-17-9-13-6-14(10-17)8-15(7-13)11-17/h2-5,13-15H,6-11H2,1H3/q+1
InChIKeyOOMKLXFMXZKENP-UHFFFAOYSA-N
XLogP4.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-adamantyloxy-(4-methylphenyl)-oxophosphanium?
The IUPAC name of 1-adamantyloxy-(4-methylphenyl)-oxophosphanium (CID 177441069) is 1-adamantyloxy-(4-methylphenyl)-oxophosphanium.
What is the SMILES notation for 1-adamantyloxy-(4-methylphenyl)-oxophosphanium?
The canonical SMILES for 1-adamantyloxy-(4-methylphenyl)-oxophosphanium is Cc1ccc([P+](=O)OC23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of 1-adamantyloxy-(4-methylphenyl)-oxophosphanium?
The InChIKey is OOMKLXFMXZKENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O2P/c1-12-2-4-16(5-3-12)20(18)19-17-9-13-6-14(10-17)8-15(7-13)11-17/h2-5,13-15H,6-11H2,1H3/q+1.
What are the key properties of 1-adamantyloxy-(4-methylphenyl)-oxophosphanium?
1-adamantyloxy-(4-methylphenyl)-oxophosphanium has a molecular weight of 289.33 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyloxy-(4-methylphenyl)-oxophosphanium is sourced from PubChem (CID 177441069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).