hydroxy-oxo-[2-[4-(2-oxopentadecyl)phenyl]ethyl]phosphanium

C23H38O3P+ — CID 157484241

IUPAChydroxy-oxo-[2-[4-(2-oxopentadecyl)phenyl]ethyl]phosphanium
SMILESCCCCCCCCCCCCCC(=O)Cc1ccc(CC[P+](=O)O)cc1
InChIInChI=1S/C23H37O3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-23(24)20-22-16-14-21(15-17-22)18-19-27(25)26/h14-17H,2-13,18-20H2,1H3/p+1
InChIKeyVZKQNGHQJQYOIQ-UHFFFAOYSA-O
MW393.53 g/mol
LogP6.78
Rot. Bonds17

About hydroxy-oxo-[2-[4-(2-oxopentadecyl)phenyl]ethyl]phosphanium

hydroxy-oxo-[2-[4-(2-oxopentadecyl)phenyl]ethyl]phosphanium (PubChem CID 157484241) has the molecular formula C23H38O3P+ and a molecular weight of 393.53 g/mol. Its IUPAC name is hydroxy-oxo-[2-[4-(2-oxopentadecyl)phenyl]ethyl]phosphanium.

Molecular Properties

Compound Namehydroxy-oxo-[2-[4-(2-oxopentadecyl)phenyl]ethyl]phosphanium
PubChem CID157484241
Molecular FormulaC23H38O3P+
Molecular Weight393.53 g/mol
Exact Mass393.26
IUPAC Namehydroxy-oxo-[2-[4-(2-oxopentadecyl)phenyl]ethyl]phosphanium
SMILESCCCCCCCCCCCCCC(=O)Cc1ccc(CC[P+](=O)O)cc1
InChIInChI=1S/C23H37O3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-23(24)20-22-16-14-21(15-17-22)18-19-27(25)26/h14-17H,2-13,18-20H2,1H3/p+1
InChIKeyVZKQNGHQJQYOIQ-UHFFFAOYSA-O
XLogP6.78
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.53
LogP ≤ 56.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(hydroxymethyl)phenyl]henicosan-2-one
CID 156644119
2-[4-(2-oxoundecyl)phenyl]acetic acid
CID 157258088
1-(4-methylphenyl)undecan-2-one
CID 63409898
1-phenylheptadecan-2-one
CID 12920609
1-(4-methylphenyl)dodecan-3-one
CID 105086419
1-(4-aminophenyl)nonan-3-one
CID 116605500
1-(3,5-dimethylphenyl)undecan-2-one
CID 63409539
1-(2,6-dimethylphenyl)undecan-2-one
CID 115792441
1-(3,4-dihydroxyphenyl)decan-3-one;bis(1-(3,4-dihydroxyphenyl)dodecan-3-one);1-(3,4-dihydroxyphenyl)hexadecan-3-one;1-(3,4-dihydroxyphenyl)tetradecan-3-one;1-(3,4-dihydroxyphenyl)tridecan-3-one;1-(3,4-dihydroxyphenyl)undecan-3-one
CID 160770404
1-(3,4-dihydroxyphenyl)decan-3-one;bis(1-(3,4-dihydroxyphenyl)dodecan-3-one);1-(3,4-dihydroxyphenyl)tetradecan-3-one;1-(3,4-dihydroxyphenyl)tridecan-3-one;1-(3,4-dihydroxyphenyl)undecan-3-one
CID 162134258
1-(4-methoxyphenyl)heptadecan-3-one
CID 91440727
1-(4-methoxyphenyl)nonan-3-one
CID 114966639

Frequently Asked Questions

What is the IUPAC name of hydroxy-oxo-[2-[4-(2-oxopentadecyl)phenyl]ethyl]phosphanium?
The IUPAC name of hydroxy-oxo-[2-[4-(2-oxopentadecyl)phenyl]ethyl]phosphanium (CID 157484241) is hydroxy-oxo-[2-[4-(2-oxopentadecyl)phenyl]ethyl]phosphanium.
What is the SMILES notation for hydroxy-oxo-[2-[4-(2-oxopentadecyl)phenyl]ethyl]phosphanium?
The canonical SMILES for hydroxy-oxo-[2-[4-(2-oxopentadecyl)phenyl]ethyl]phosphanium is CCCCCCCCCCCCCC(=O)Cc1ccc(CC[P+](=O)O)cc1.
What is the InChIKey of hydroxy-oxo-[2-[4-(2-oxopentadecyl)phenyl]ethyl]phosphanium?
The InChIKey is VZKQNGHQJQYOIQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H37O3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-23(24)20-22-16-14-21(15-17-22)18-19-27(25)26/h14-17H,2-13,18-20H2,1H3/p+1.
What are the key properties of hydroxy-oxo-[2-[4-(2-oxopentadecyl)phenyl]ethyl]phosphanium?
hydroxy-oxo-[2-[4-(2-oxopentadecyl)phenyl]ethyl]phosphanium has a molecular weight of 393.53 g/mol, XLogP of 6.78, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-oxo-[2-[4-(2-oxopentadecyl)phenyl]ethyl]phosphanium is sourced from PubChem (CID 157484241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).