2-[(E)-1-diethoxyphosphorylprop-1-en-2-yl]naphthalene

C17H21O3P — CID 102523073

IUPAC2-[(E)-1-diethoxyphosphorylprop-1-en-2-yl]naphthalene
SMILESCCOP(=O)(/C=C(\C)c1ccc2ccccc2c1)OCC
InChIInChI=1S/C17H21O3P/c1-4-19-21(18,20-5-2)13-14(3)16-11-10-15-8-6-7-9-17(15)12-16/h6-13H,4-5H2,1-3H3/b14-13+
InChIKeyDMRGDRULLQDNPH-BUHFOSPRSA-N
MW304.33 g/mol
LogP5.47
Rot. Bonds6

About 2-[(E)-1-diethoxyphosphorylprop-1-en-2-yl]naphthalene

2-[(E)-1-diethoxyphosphorylprop-1-en-2-yl]naphthalene (PubChem CID 102523073) has the molecular formula C17H21O3P and a molecular weight of 304.33 g/mol. Its IUPAC name is 2-[(E)-1-diethoxyphosphorylprop-1-en-2-yl]naphthalene.

Molecular Properties

Compound Name2-[(E)-1-diethoxyphosphorylprop-1-en-2-yl]naphthalene
PubChem CID102523073
Molecular FormulaC17H21O3P
Molecular Weight304.33 g/mol
Exact Mass304.12
IUPAC Name2-[(E)-1-diethoxyphosphorylprop-1-en-2-yl]naphthalene
SMILESCCOP(=O)(/C=C(\C)c1ccc2ccccc2c1)OCC
InChIInChI=1S/C17H21O3P/c1-4-19-21(18,20-5-2)13-14(3)16-11-10-15-8-6-7-9-17(15)12-16/h6-13H,4-5H2,1-3H3/b14-13+
InChIKeyDMRGDRULLQDNPH-BUHFOSPRSA-N
XLogP5.47
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.33
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Diethyl P-(1-naphthalenylmethyl)phosphonate
CID 101271
1-(1-Naphthyl)ethenylphosphonic acid
CID 657859
P-(1-Naphthalenylmethyl)phosphonic acid
CID 96536
2-[1-Diethoxyphosphoryl-2-(4-fluorophenyl)ethyl]naphthalene
CID 70695905
1-[1-Diethoxyphosphoryl-2-(4-fluorophenyl)ethyl]naphthalene
CID 70695906
9-[2,2-Bis(diethoxyphosphoryl)ethenyl]anthracene
CID 130362615
Diethyl 2-(naphthalen-1-yl)ethyl phosphite
CID 116075
4-(1-Pyrenyl)butyl methylphosphonofluoridate
CID 125653
[(E)-3-methyl-5-naphthalen-2-ylpent-2-enyl] phosphono hydrogen phosphate
CID 10407776
(2-Biphenyl-4-yl-1-naphthalen-1-yl-ethyl)-phosphonic acid
CID 44296527
Phosphonic acid, (2-naphthalenylmethyl)-
CID 3696145
2-Naphthalen-1-ylethylphosphonic acid
CID 10082823

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1-diethoxyphosphorylprop-1-en-2-yl]naphthalene?
The IUPAC name of 2-[(E)-1-diethoxyphosphorylprop-1-en-2-yl]naphthalene (CID 102523073) is 2-[(E)-1-diethoxyphosphorylprop-1-en-2-yl]naphthalene.
What is the SMILES notation for 2-[(E)-1-diethoxyphosphorylprop-1-en-2-yl]naphthalene?
The canonical SMILES for 2-[(E)-1-diethoxyphosphorylprop-1-en-2-yl]naphthalene is CCOP(=O)(/C=C(\C)c1ccc2ccccc2c1)OCC.
What is the InChIKey of 2-[(E)-1-diethoxyphosphorylprop-1-en-2-yl]naphthalene?
The InChIKey is DMRGDRULLQDNPH-BUHFOSPRSA-N. The full InChI is InChI=1S/C17H21O3P/c1-4-19-21(18,20-5-2)13-14(3)16-11-10-15-8-6-7-9-17(15)12-16/h6-13H,4-5H2,1-3H3/b14-13+.
What are the key properties of 2-[(E)-1-diethoxyphosphorylprop-1-en-2-yl]naphthalene?
2-[(E)-1-diethoxyphosphorylprop-1-en-2-yl]naphthalene has a molecular weight of 304.33 g/mol, XLogP of 5.47, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-diethoxyphosphorylprop-1-en-2-yl]naphthalene is sourced from PubChem (CID 102523073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).