dihydroxy(oxo)phosphanium;1-phenylundecan-1-ol

C17H30O4P+ — CID 69241764

IUPACdihydroxy(oxo)phosphanium;1-phenylundecan-1-ol
SMILESCCCCCCCCCCC(O)c1ccccc1.O=[P+](O)O
InChIInChI=1S/C17H28O.HO3P/c1-2-3-4-5-6-7-8-12-15-17(18)16-13-10-9-11-14-16;1-4(2)3/h9-11,13-14,17-18H,2-8,12,15H2,1H3;(H-,1,2,3)/p+1
InChIKeyQRSNKQNNFJYWCQ-UHFFFAOYSA-O
MW329.40 g/mol
LogP4.88
Rot. Bonds10

About dihydroxy(oxo)phosphanium;1-phenylundecan-1-ol

dihydroxy(oxo)phosphanium;1-phenylundecan-1-ol (PubChem CID 69241764) has the molecular formula C17H30O4P+ and a molecular weight of 329.40 g/mol. Its IUPAC name is dihydroxy(oxo)phosphanium;1-phenylundecan-1-ol.

Molecular Properties

Compound Namedihydroxy(oxo)phosphanium;1-phenylundecan-1-ol
PubChem CID69241764
Molecular FormulaC17H30O4P+
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Namedihydroxy(oxo)phosphanium;1-phenylundecan-1-ol
SMILESCCCCCCCCCCC(O)c1ccccc1.O=[P+](O)O
InChIInChI=1S/C17H28O.HO3P/c1-2-3-4-5-6-7-8-12-15-17(18)16-13-10-9-11-14-16;1-4(2)3/h9-11,13-14,17-18H,2-8,12,15H2,1H3;(H-,1,2,3)/p+1
InChIKeyQRSNKQNNFJYWCQ-UHFFFAOYSA-O
XLogP4.88
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.88
H-Bond Donors ≤ 53
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

(1R)-1-phenyloctan-1-ol
CID 12794259
(1S)-1-phenylpentan-1-ol
CID 6992754
(1R,5S)-1-phenyldecane-1,5-diol
CID 10879541
benzene;dihydroxy(oxo)phosphanium;bis(nonane)
CID 68789249
1-(4-phenylmethoxyphenyl)heptadecan-1-ol
CID 139807758
2-(nonan-2-ylamino)-1-phenylethanol
CID 43499169
4-(1-hydroxytridecyl)phenol
CID 57120972
1,1-diphenyltetradecan-3-ol
CID 102298194
phenylmethanol;1-phenylpentan-1-ol
CID 160862998
5-ethylsulfonyl-1-phenylpentan-1-ol
CID 65095328
hentriacontan-13-ylbenzene
CID 91306613
icosan-10-ylbenzene
CID 54351357

Frequently Asked Questions

What is the IUPAC name of dihydroxy(oxo)phosphanium;1-phenylundecan-1-ol?
The IUPAC name of dihydroxy(oxo)phosphanium;1-phenylundecan-1-ol (CID 69241764) is dihydroxy(oxo)phosphanium;1-phenylundecan-1-ol.
What is the SMILES notation for dihydroxy(oxo)phosphanium;1-phenylundecan-1-ol?
The canonical SMILES for dihydroxy(oxo)phosphanium;1-phenylundecan-1-ol is CCCCCCCCCCC(O)c1ccccc1.O=[P+](O)O.
What is the InChIKey of dihydroxy(oxo)phosphanium;1-phenylundecan-1-ol?
The InChIKey is QRSNKQNNFJYWCQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H28O.HO3P/c1-2-3-4-5-6-7-8-12-15-17(18)16-13-10-9-11-14-16;1-4(2)3/h9-11,13-14,17-18H,2-8,12,15H2,1H3;(H-,1,2,3)/p+1.
What are the key properties of dihydroxy(oxo)phosphanium;1-phenylundecan-1-ol?
dihydroxy(oxo)phosphanium;1-phenylundecan-1-ol has a molecular weight of 329.40 g/mol, XLogP of 4.88, 10 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy(oxo)phosphanium;1-phenylundecan-1-ol is sourced from PubChem (CID 69241764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).