2-diethoxyphosphorylprop-2-enoxymethylbenzene

C14H21O4P — CID 11129808

IUPAC2-diethoxyphosphorylprop-2-enoxymethylbenzene
SMILESC=C(COCc1ccccc1)P(=O)(OCC)OCC
InChIInChI=1S/C14H21O4P/c1-4-17-19(15,18-5-2)13(3)11-16-12-14-9-7-6-8-10-14/h6-10H,3-5,11-12H2,1-2H3
InChIKeyJVTZKTZGNPPFCM-UHFFFAOYSA-N
MW284.29 g/mol
LogP3.98
Rot. Bonds9

About 2-diethoxyphosphorylprop-2-enoxymethylbenzene

2-diethoxyphosphorylprop-2-enoxymethylbenzene (PubChem CID 11129808) has the molecular formula C14H21O4P and a molecular weight of 284.29 g/mol. Its IUPAC name is 2-diethoxyphosphorylprop-2-enoxymethylbenzene.

Molecular Properties

Compound Name2-diethoxyphosphorylprop-2-enoxymethylbenzene
PubChem CID11129808
Molecular FormulaC14H21O4P
Molecular Weight284.29 g/mol
Exact Mass284.12
IUPAC Name2-diethoxyphosphorylprop-2-enoxymethylbenzene
SMILESC=C(COCc1ccccc1)P(=O)(OCC)OCC
InChIInChI=1S/C14H21O4P/c1-4-17-19(15,18-5-2)13(3)11-16-12-14-9-7-6-8-10-14/h6-10H,3-5,11-12H2,1-2H3
InChIKeyJVTZKTZGNPPFCM-UHFFFAOYSA-N
XLogP3.98
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzyl dihydrogen phosphate;ethoxyethane
CID 67119526
1-diethoxyphosphoryl-N-phenylmethoxymethanamine
CID 11832560
(1S)-1-diethoxyphosphoryl-3-phenylmethoxypropan-1-ol
CID 134942131
phenylmethoxymethylbenzene;phosphoric acid
CID 141118417
(213C)ethoxymethylbenzene
CID 87947851
benzyl ethyl methyl phosphate
CID 152677778
[(Z)-1-diethoxyphosphorylprop-1-enyl]benzene
CID 15103917
[ethoxy(1-phenylethenoxy)phosphoryl]methylbenzene
CID 11324093
4-methylidene-1-phenylmethoxyheptan-2-one
CID 163622001
dibenzyl hydrogen phosphate;silver
CID 85301331
3-(diethoxyphosphorylmethylidene)pentoxymethylbenzene
CID 11526775
2-methylidenebut-3-enoxymethylbenzene
CID 11275317

Frequently Asked Questions

What is the IUPAC name of 2-diethoxyphosphorylprop-2-enoxymethylbenzene?
The IUPAC name of 2-diethoxyphosphorylprop-2-enoxymethylbenzene (CID 11129808) is 2-diethoxyphosphorylprop-2-enoxymethylbenzene.
What is the SMILES notation for 2-diethoxyphosphorylprop-2-enoxymethylbenzene?
The canonical SMILES for 2-diethoxyphosphorylprop-2-enoxymethylbenzene is C=C(COCc1ccccc1)P(=O)(OCC)OCC.
What is the InChIKey of 2-diethoxyphosphorylprop-2-enoxymethylbenzene?
The InChIKey is JVTZKTZGNPPFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21O4P/c1-4-17-19(15,18-5-2)13(3)11-16-12-14-9-7-6-8-10-14/h6-10H,3-5,11-12H2,1-2H3.
What are the key properties of 2-diethoxyphosphorylprop-2-enoxymethylbenzene?
2-diethoxyphosphorylprop-2-enoxymethylbenzene has a molecular weight of 284.29 g/mol, XLogP of 3.98, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphorylprop-2-enoxymethylbenzene is sourced from PubChem (CID 11129808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).