naphthalen-2-yl 6-oxohexyl hydrogen phosphate

C16H19O5P — CID 118492240

IUPACnaphthalen-2-yl 6-oxohexyl hydrogen phosphate
SMILESO=CCCCCCOP(=O)(O)Oc1ccc2ccccc2c1
InChIInChI=1S/C16H19O5P/c17-11-5-1-2-6-12-20-22(18,19)21-16-10-9-14-7-3-4-8-15(14)13-16/h3-4,7-11,13H,1-2,5-6,12H2,(H,18,19)
InChIKeyLVDGEGLIFXSJQC-UHFFFAOYSA-N
MW322.30 g/mol
LogP4.09
Rot. Bonds9

About naphthalen-2-yl 6-oxohexyl hydrogen phosphate

naphthalen-2-yl 6-oxohexyl hydrogen phosphate (PubChem CID 118492240) has the molecular formula C16H19O5P and a molecular weight of 322.30 g/mol. Its IUPAC name is naphthalen-2-yl 6-oxohexyl hydrogen phosphate.

Molecular Properties

Compound Namenaphthalen-2-yl 6-oxohexyl hydrogen phosphate
PubChem CID118492240
Molecular FormulaC16H19O5P
Molecular Weight322.30 g/mol
Exact Mass322.10
IUPAC Namenaphthalen-2-yl 6-oxohexyl hydrogen phosphate
SMILESO=CCCCCCOP(=O)(O)Oc1ccc2ccccc2c1
InChIInChI=1S/C16H19O5P/c17-11-5-1-2-6-12-20-22(18,19)21-16-10-9-14-7-3-4-8-15(14)13-16/h3-4,7-11,13H,1-2,5-6,12H2,(H,18,19)
InChIKeyLVDGEGLIFXSJQC-UHFFFAOYSA-N
XLogP4.09
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.30
LogP ≤ 54.09
H-Bond Donors ≤ 51
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

4-[hydroxy(phenoxy)phosphoryl]oxybutyl phenyl hydrogen phosphate
CID 101208823
hexyl phenyl hydrogen phosphate
CID 66863526
alumane;phenyl tetradecyl hydrogen phosphate
CID 173415537
naphthalen-2-yl (2,3,4,5,6-pentahydroxycyclohexyl) hydrogen phosphate
CID 18539749
sodium [4-[(Z)-2-[4-[hexadecoxy(hydroxy)phosphoryl]oxyphenyl]ethenyl]phenyl] hexadecyl hydrogen phosphate
CID 54607997
sodium naphthalen-2-yl hydrogen phosphate
CID 23700943
(4-ethenylphenyl) [(Z)-octadec-9-enyl] hydrogen phosphate
CID 102017739
4,4-dihydroxybutyl phenyl hydrogen phosphate
CID 175686334
11-naphthalen-2-yloxyundecan-1-ol
CID 164916130
8-quinolin-2-yloxyoctanal
CID 19898648
hexyl (2-hydroxyphenyl) hydrogen phosphate
CID 10978666
3-[3-[hydroxy(phenoxy)phosphoryl]oxypropoxy]propyl diphenyl phosphate
CID 175686297

Frequently Asked Questions

What is the IUPAC name of naphthalen-2-yl 6-oxohexyl hydrogen phosphate?
The IUPAC name of naphthalen-2-yl 6-oxohexyl hydrogen phosphate (CID 118492240) is naphthalen-2-yl 6-oxohexyl hydrogen phosphate.
What is the SMILES notation for naphthalen-2-yl 6-oxohexyl hydrogen phosphate?
The canonical SMILES for naphthalen-2-yl 6-oxohexyl hydrogen phosphate is O=CCCCCCOP(=O)(O)Oc1ccc2ccccc2c1.
What is the InChIKey of naphthalen-2-yl 6-oxohexyl hydrogen phosphate?
The InChIKey is LVDGEGLIFXSJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19O5P/c17-11-5-1-2-6-12-20-22(18,19)21-16-10-9-14-7-3-4-8-15(14)13-16/h3-4,7-11,13H,1-2,5-6,12H2,(H,18,19).
What are the key properties of naphthalen-2-yl 6-oxohexyl hydrogen phosphate?
naphthalen-2-yl 6-oxohexyl hydrogen phosphate has a molecular weight of 322.30 g/mol, XLogP of 4.09, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-yl 6-oxohexyl hydrogen phosphate is sourced from PubChem (CID 118492240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).