(4-formylphenoxy)-hexadecoxy-oxophosphanium

C23H38O4P+ — CID 57357192

IUPAC(4-formylphenoxy)-hexadecoxy-oxophosphanium
SMILESCCCCCCCCCCCCCCCCO[P+](=O)Oc1ccc(C=O)cc1
InChIInChI=1S/C23H38O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-26-28(25)27-23-18-16-22(21-24)17-19-23/h16-19,21H,2-15,20H2,1H3/q+1
InChIKeyWOUYKFWYFLYWIW-UHFFFAOYSA-N
MW409.53 g/mol
LogP8.03
Rot. Bonds19

About (4-formylphenoxy)-hexadecoxy-oxophosphanium

(4-formylphenoxy)-hexadecoxy-oxophosphanium (PubChem CID 57357192) has the molecular formula C23H38O4P+ and a molecular weight of 409.53 g/mol. Its IUPAC name is (4-formylphenoxy)-hexadecoxy-oxophosphanium.

Molecular Properties

Compound Name(4-formylphenoxy)-hexadecoxy-oxophosphanium
PubChem CID57357192
Molecular FormulaC23H38O4P+
Molecular Weight409.53 g/mol
Exact Mass409.25
IUPAC Name(4-formylphenoxy)-hexadecoxy-oxophosphanium
SMILESCCCCCCCCCCCCCCCCO[P+](=O)Oc1ccc(C=O)cc1
InChIInChI=1S/C23H38O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-26-28(25)27-23-18-16-22(21-24)17-19-23/h16-19,21H,2-15,20H2,1H3/q+1
InChIKeyWOUYKFWYFLYWIW-UHFFFAOYSA-N
XLogP8.03
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.53
LogP ≤ 58.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

oxo-phenoxy-undecoxyphosphanium
CID 67392956
4-icosoxybenzaldehyde
CID 23127488
4-(4-decoxyphenoxy)benzaldehyde
CID 22713263
ethanol;4-octadecoxybenzaldehyde
CID 158692714
butoxy-dodecoxy-oxophosphanium
CID 175103299
dodecyl 10-(4-formylphenoxy)decyl phosphate
CID 101477710
dodecoxy-octoxy-oxophosphanium
CID 154187352
dihexadecoxy(oxo)phosphanium
CID 6336657
oxo-di(tetradecoxy)phosphanium;tetradecane
CID 88815459
dioctadecoxy(oxo)phosphanium
CID 6327799
4-[6-(3,6,7,10,11-pentapentoxytriphenylen-2-yl)oxyhexoxy]benzaldehyde
CID 102190987
benzene;dihexoxy(oxo)phosphanium
CID 19391965

Frequently Asked Questions

What is the IUPAC name of (4-formylphenoxy)-hexadecoxy-oxophosphanium?
The IUPAC name of (4-formylphenoxy)-hexadecoxy-oxophosphanium (CID 57357192) is (4-formylphenoxy)-hexadecoxy-oxophosphanium.
What is the SMILES notation for (4-formylphenoxy)-hexadecoxy-oxophosphanium?
The canonical SMILES for (4-formylphenoxy)-hexadecoxy-oxophosphanium is CCCCCCCCCCCCCCCCO[P+](=O)Oc1ccc(C=O)cc1.
What is the InChIKey of (4-formylphenoxy)-hexadecoxy-oxophosphanium?
The InChIKey is WOUYKFWYFLYWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-26-28(25)27-23-18-16-22(21-24)17-19-23/h16-19,21H,2-15,20H2,1H3/q+1.
What are the key properties of (4-formylphenoxy)-hexadecoxy-oxophosphanium?
(4-formylphenoxy)-hexadecoxy-oxophosphanium has a molecular weight of 409.53 g/mol, XLogP of 8.03, 19 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-formylphenoxy)-hexadecoxy-oxophosphanium is sourced from PubChem (CID 57357192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).