hydroxy-[1-(4-hydroxyphenyl)pentoxy]-oxophosphanium

C11H16O4P+ — CID 172778858

IUPAChydroxy-[1-(4-hydroxyphenyl)pentoxy]-oxophosphanium
SMILESCCCCC(O[P+](=O)O)c1ccc(O)cc1
InChIInChI=1S/C11H15O4P/c1-2-3-4-11(15-16(13)14)9-5-7-10(12)8-6-9/h5-8,11H,2-4H2,1H3,(H-,12,13,14)/p+1
InChIKeyHYZKPGBWHDQKOS-UHFFFAOYSA-O
MW243.22 g/mol
LogP3.29
Rot. Bonds6

About hydroxy-[1-(4-hydroxyphenyl)pentoxy]-oxophosphanium

hydroxy-[1-(4-hydroxyphenyl)pentoxy]-oxophosphanium (PubChem CID 172778858) has the molecular formula C11H16O4P+ and a molecular weight of 243.22 g/mol. Its IUPAC name is hydroxy-[1-(4-hydroxyphenyl)pentoxy]-oxophosphanium.

Molecular Properties

Compound Namehydroxy-[1-(4-hydroxyphenyl)pentoxy]-oxophosphanium
PubChem CID172778858
Molecular FormulaC11H16O4P+
Molecular Weight243.22 g/mol
Exact Mass243.08
IUPAC Namehydroxy-[1-(4-hydroxyphenyl)pentoxy]-oxophosphanium
SMILESCCCCC(O[P+](=O)O)c1ccc(O)cc1
InChIInChI=1S/C11H15O4P/c1-2-3-4-11(15-16(13)14)9-5-7-10(12)8-6-9/h5-8,11H,2-4H2,1H3,(H-,12,13,14)/p+1
InChIKeyHYZKPGBWHDQKOS-UHFFFAOYSA-O
XLogP3.29
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

hydroxy-oxo-(1-phenylpentoxy)phosphanium
CID 90299960
4-hexan-2-ylphenol
CID 12579179
4-(4-methyloctan-3-yl)phenol
CID 91753369
4-(2-methylheptan-3-yl)phenol
CID 174396505
1-(4-hydroxyphenyl)hexyl prop-2-enoate
CID 163283433
4-undecan-6-ylphenol
CID 66867197
4-[3-(4-hydroxyphenyl)heptan-2-yl]phenol
CID 158116149
3-(4-hydroxyphenyl)heptanal
CID 91485850
4-(1-hydroxytridecyl)phenol
CID 57120972
4-hexadecan-7-ylphenol
CID 71320883
calcium bis(1-(4-hydroxyphenyl)pentane-1-sulfonate)
CID 161372918
4-(1-hydrazinylpentyl)phenol
CID 53402339

Frequently Asked Questions

What is the IUPAC name of hydroxy-[1-(4-hydroxyphenyl)pentoxy]-oxophosphanium?
The IUPAC name of hydroxy-[1-(4-hydroxyphenyl)pentoxy]-oxophosphanium (CID 172778858) is hydroxy-[1-(4-hydroxyphenyl)pentoxy]-oxophosphanium.
What is the SMILES notation for hydroxy-[1-(4-hydroxyphenyl)pentoxy]-oxophosphanium?
The canonical SMILES for hydroxy-[1-(4-hydroxyphenyl)pentoxy]-oxophosphanium is CCCCC(O[P+](=O)O)c1ccc(O)cc1.
What is the InChIKey of hydroxy-[1-(4-hydroxyphenyl)pentoxy]-oxophosphanium?
The InChIKey is HYZKPGBWHDQKOS-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H15O4P/c1-2-3-4-11(15-16(13)14)9-5-7-10(12)8-6-9/h5-8,11H,2-4H2,1H3,(H-,12,13,14)/p+1.
What are the key properties of hydroxy-[1-(4-hydroxyphenyl)pentoxy]-oxophosphanium?
hydroxy-[1-(4-hydroxyphenyl)pentoxy]-oxophosphanium has a molecular weight of 243.22 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[1-(4-hydroxyphenyl)pentoxy]-oxophosphanium is sourced from PubChem (CID 172778858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).