1-[ethoxy(octadecyl)phosphoryl]oxynaphthalene

C30H49O3P — CID 174802997

IUPAC1-[ethoxy(octadecyl)phosphoryl]oxynaphthalene
SMILESCCCCCCCCCCCCCCCCCCP(=O)(OCC)Oc1cccc2ccccc12
InChIInChI=1S/C30H49O3P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-27-34(31,32-4-2)33-30-26-22-24-28-23-19-20-25-29(28)30/h19-20,22-26H,3-18,21,27H2,1-2H3
InChIKeyZJTVHIYMLGGVCN-UHFFFAOYSA-N
MW488.69 g/mol
LogP10.71
Rot. Bonds21

About 1-[ethoxy(octadecyl)phosphoryl]oxynaphthalene

1-[ethoxy(octadecyl)phosphoryl]oxynaphthalene (PubChem CID 174802997) has the molecular formula C30H49O3P and a molecular weight of 488.69 g/mol. Its IUPAC name is 1-[ethoxy(octadecyl)phosphoryl]oxynaphthalene.

Molecular Properties

Compound Name1-[ethoxy(octadecyl)phosphoryl]oxynaphthalene
PubChem CID174802997
Molecular FormulaC30H49O3P
Molecular Weight488.69 g/mol
Exact Mass488.34
IUPAC Name1-[ethoxy(octadecyl)phosphoryl]oxynaphthalene
SMILESCCCCCCCCCCCCCCCCCCP(=O)(OCC)Oc1cccc2ccccc12
InChIInChI=1S/C30H49O3P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-27-34(31,32-4-2)33-30-26-22-24-28-23-19-20-25-29(28)30/h19-20,22-26H,3-18,21,27H2,1-2H3
InChIKeyZJTVHIYMLGGVCN-UHFFFAOYSA-N
XLogP10.71
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.69
LogP ≤ 510.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[ethoxy(octadecyl)phosphoryl]oxynaphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-diethoxyphosphoryldecane
CID 2773697
1-diethoxyphosphorylundecane
CID 57360026
1-[butyl(heptoxy)phosphoryl]oxy-2-methylbenzene
CID 6425176
1-[butyl(heptoxy)phosphoryl]oxy-2-propan-2-yloxybenzene
CID 6425598
2-[2-chloroethyl(octoxy)phosphoryl]oxyphenol
CID 71410364
2-[butyl-(2,6-dimethoxyphenoxy)phosphoryl]oxy-1,3-dimethoxybenzene
CID 91739119
2-[2-(2-ethoxyethoxy)ethoxy]ethyl naphthalen-1-yloxy pentadecyl phosphate
CID 122611702
1-[butyl(ethoxy)phosphoryl]oxy-3-methylbenzene
CID 91739019
naphthalen-1-yl 2-(octanoylamino)ethyl phosphate
CID 18378437
2-naphthalen-1-yloxytetradecyl dihydrogen phosphate
CID 158283775
2-naphthalen-1-yloxynonadecyl dihydrogen phosphate
CID 150700579
2-(2-naphthalen-1-yloxyethoxy)ethyl octadecyl hydrogen phosphate
CID 122612460

Frequently Asked Questions

What is the IUPAC name of 1-[ethoxy(octadecyl)phosphoryl]oxynaphthalene?
The IUPAC name of 1-[ethoxy(octadecyl)phosphoryl]oxynaphthalene (CID 174802997) is 1-[ethoxy(octadecyl)phosphoryl]oxynaphthalene.
What is the SMILES notation for 1-[ethoxy(octadecyl)phosphoryl]oxynaphthalene?
The canonical SMILES for 1-[ethoxy(octadecyl)phosphoryl]oxynaphthalene is CCCCCCCCCCCCCCCCCCP(=O)(OCC)Oc1cccc2ccccc12.
What is the InChIKey of 1-[ethoxy(octadecyl)phosphoryl]oxynaphthalene?
The InChIKey is ZJTVHIYMLGGVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H49O3P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-27-34(31,32-4-2)33-30-26-22-24-28-23-19-20-25-29(28)30/h19-20,22-26H,3-18,21,27H2,1-2H3.
What are the key properties of 1-[ethoxy(octadecyl)phosphoryl]oxynaphthalene?
1-[ethoxy(octadecyl)phosphoryl]oxynaphthalene has a molecular weight of 488.69 g/mol, XLogP of 10.71, 21 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethoxy(octadecyl)phosphoryl]oxynaphthalene is sourced from PubChem (CID 174802997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).