ethoxy-[3-(2-hydroxyphenyl)propyl]-oxophosphanium

C11H16O3P+ — CID 125473118

IUPACethoxy-[3-(2-hydroxyphenyl)propyl]-oxophosphanium
SMILESCCO[P+](=O)CCCc1ccccc1O
InChIInChI=1S/C11H15O3P/c1-2-14-15(13)9-5-7-10-6-3-4-8-11(10)12/h3-4,6,8H,2,5,7,9H2,1H3/p+1
InChIKeyFZEGNIJDGXKONK-UHFFFAOYSA-O
MW227.22 g/mol
LogP3.10
Rot. Bonds6

About ethoxy-[3-(2-hydroxyphenyl)propyl]-oxophosphanium

ethoxy-[3-(2-hydroxyphenyl)propyl]-oxophosphanium (PubChem CID 125473118) has the molecular formula C11H16O3P+ and a molecular weight of 227.22 g/mol. Its IUPAC name is ethoxy-[3-(2-hydroxyphenyl)propyl]-oxophosphanium.

Molecular Properties

Compound Nameethoxy-[3-(2-hydroxyphenyl)propyl]-oxophosphanium
PubChem CID125473118
Molecular FormulaC11H16O3P+
Molecular Weight227.22 g/mol
Exact Mass227.08
IUPAC Nameethoxy-[3-(2-hydroxyphenyl)propyl]-oxophosphanium
SMILESCCO[P+](=O)CCCc1ccccc1O
InChIInChI=1S/C11H15O3P/c1-2-14-15(13)9-5-7-10-6-3-4-8-11(10)12/h3-4,6,8H,2,5,7,9H2,1H3/p+1
InChIKeyFZEGNIJDGXKONK-UHFFFAOYSA-O
XLogP3.10
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-(2-hydroxyphenyl)butanoate
CID 22461645
ethoxyethane;2-octylphenol
CID 66605620
2-dodecylphenol
CID 160834917
formaldehyde;2-octadecylphenol
CID 67830879
formaldehyde;2-nonylphenol;2-octylphenol
CID 175344349
2-octylphenol;tungsten
CID 157237523
CID 69025009
CID 69025009
CID 158595082
CID 158595082
carbonic acid;bis(2-nonylphenol)
CID 69221300
lithium;2-dodecylphenol;hydride
CID 174657819
ethene;2-nonylphenol
CID 66616289
disodium;hydride;2-nonylphenol
CID 175531956

Frequently Asked Questions

What is the IUPAC name of ethoxy-[3-(2-hydroxyphenyl)propyl]-oxophosphanium?
The IUPAC name of ethoxy-[3-(2-hydroxyphenyl)propyl]-oxophosphanium (CID 125473118) is ethoxy-[3-(2-hydroxyphenyl)propyl]-oxophosphanium.
What is the SMILES notation for ethoxy-[3-(2-hydroxyphenyl)propyl]-oxophosphanium?
The canonical SMILES for ethoxy-[3-(2-hydroxyphenyl)propyl]-oxophosphanium is CCO[P+](=O)CCCc1ccccc1O.
What is the InChIKey of ethoxy-[3-(2-hydroxyphenyl)propyl]-oxophosphanium?
The InChIKey is FZEGNIJDGXKONK-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H15O3P/c1-2-14-15(13)9-5-7-10-6-3-4-8-11(10)12/h3-4,6,8H,2,5,7,9H2,1H3/p+1.
What are the key properties of ethoxy-[3-(2-hydroxyphenyl)propyl]-oxophosphanium?
ethoxy-[3-(2-hydroxyphenyl)propyl]-oxophosphanium has a molecular weight of 227.22 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-[3-(2-hydroxyphenyl)propyl]-oxophosphanium is sourced from PubChem (CID 125473118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).