(2,3-diethylphenoxy)-hydroxy-oxophosphanium

C10H14O3P+ — CID 66957661

IUPAC(2,3-diethylphenoxy)-hydroxy-oxophosphanium
SMILESCCc1cccc(O[P+](=O)O)c1CC
InChIInChI=1S/C10H13O3P/c1-3-8-6-5-7-10(9(8)4-2)13-14(11)12/h5-7H,3-4H2,1-2H3/p+1
InChIKeyRVRKBSYJVOCFHA-UHFFFAOYSA-O
MW213.19 g/mol
LogP2.84
Rot. Bonds4

About (2,3-diethylphenoxy)-hydroxy-oxophosphanium

(2,3-diethylphenoxy)-hydroxy-oxophosphanium (PubChem CID 66957661) has the molecular formula C10H14O3P+ and a molecular weight of 213.19 g/mol. Its IUPAC name is (2,3-diethylphenoxy)-hydroxy-oxophosphanium.

Molecular Properties

Compound Name(2,3-diethylphenoxy)-hydroxy-oxophosphanium
PubChem CID66957661
Molecular FormulaC10H14O3P+
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC Name(2,3-diethylphenoxy)-hydroxy-oxophosphanium
SMILESCCc1cccc(O[P+](=O)O)c1CC
InChIInChI=1S/C10H13O3P/c1-3-8-6-5-7-10(9(8)4-2)13-14(11)12/h5-7H,3-4H2,1-2H3/p+1
InChIKeyRVRKBSYJVOCFHA-UHFFFAOYSA-O
XLogP2.84
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 52.84
H-Bond Donors ≤ 51
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 (2,3-diethylphenoxy)-hydroxy-oxophosphanium?
The IUPAC name of (2,3-diethylphenoxy)-hydroxy-oxophosphanium (CID 66957661) is (2,3-diethylphenoxy)-hydroxy-oxophosphanium.
What is the SMILES notation for (2,3-diethylphenoxy)-hydroxy-oxophosphanium?
The canonical SMILES for (2,3-diethylphenoxy)-hydroxy-oxophosphanium is CCc1cccc(O[P+](=O)O)c1CC.
What is the InChIKey of (2,3-diethylphenoxy)-hydroxy-oxophosphanium?
The InChIKey is RVRKBSYJVOCFHA-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H13O3P/c1-3-8-6-5-7-10(9(8)4-2)13-14(11)12/h5-7H,3-4H2,1-2H3/p+1.
What are the key properties of (2,3-diethylphenoxy)-hydroxy-oxophosphanium?
(2,3-diethylphenoxy)-hydroxy-oxophosphanium has a molecular weight of 213.19 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-diethylphenoxy)-hydroxy-oxophosphanium is sourced from PubChem (CID 66957661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).