diethyl [2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] phosphate

C22H29O8P — CID 59330764

IUPACdiethyl [2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] phosphate
SMILESC=C(c1ccc(OC)c(OP(=O)(OCC)OCC)c1)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C22H29O8P/c1-8-28-31(23,29-9-2)30-19-12-16(10-11-18(19)24-4)15(3)17-13-20(25-5)22(27-7)21(14-17)26-6/h10-14H,3,8-9H2,1-2,4-7H3
InChIKeyNOLCLOXFZFUARI-UHFFFAOYSA-N
MW452.44 g/mol
LogP5.34
Rot. Bonds12

About diethyl [2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] phosphate

diethyl [2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] phosphate (PubChem CID 59330764) has the molecular formula C22H29O8P and a molecular weight of 452.44 g/mol. Its IUPAC name is diethyl [2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] phosphate.

Molecular Properties

Compound Namediethyl [2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] phosphate
PubChem CID59330764
Molecular FormulaC22H29O8P
Molecular Weight452.44 g/mol
Exact Mass452.16
IUPAC Namediethyl [2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] phosphate
SMILESC=C(c1ccc(OC)c(OP(=O)(OCC)OCC)c1)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C22H29O8P/c1-8-28-31(23,29-9-2)30-19-12-16(10-11-18(19)24-4)15(3)17-13-20(25-5)22(27-7)21(14-17)26-6/h10-14H,3,8-9H2,1-2,4-7H3
InChIKeyNOLCLOXFZFUARI-UHFFFAOYSA-N
XLogP5.34
TPSA81.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.44
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-[1-(3,4,5-trimethoxyphenyl)ethenyl]benzene-1,2-diol
CID 89122708
CID 25069662
CID 25069662
2-diethoxyphosphoryloxyimino-2-(3,4-dimethoxyphenyl)acetic acid
CID 73414404
1,2-bis(3-ethoxy-4-methoxyphenyl)ethane-1,2-dione
CID 126457801
2-(hydroxymethyl)-6-[2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]oxane-3,4,5-triol
CID 59330763
(3,4,5-trimethoxyphenyl)methyl 3,4-diethoxybenzoate
CID 9095626
(E)-N-hydroxy-3-[2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 130205516
2-fluoro-3-methoxy-6-[1-(3,4,5-trimethoxyphenyl)ethenyl]pyridine
CID 71698290
N-hydroxy-3-methoxy-6-[1-(3,4,5-trimethoxyphenyl)ethenyl]pyridine-2-carboxamide
CID 130227383
3,4-diethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 41261631
(4-ethoxycarbonyl-2-methoxyphenyl) 3,4,5-trimethoxybenzoate
CID 7311951
4-ethoxy-3-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 26698623

Frequently Asked Questions

What is the IUPAC name of diethyl [2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] phosphate?
The IUPAC name of diethyl [2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] phosphate (CID 59330764) is diethyl [2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] phosphate.
What is the SMILES notation for diethyl [2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] phosphate?
The canonical SMILES for diethyl [2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] phosphate is C=C(c1ccc(OC)c(OP(=O)(OCC)OCC)c1)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of diethyl [2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] phosphate?
The InChIKey is NOLCLOXFZFUARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29O8P/c1-8-28-31(23,29-9-2)30-19-12-16(10-11-18(19)24-4)15(3)17-13-20(25-5)22(27-7)21(14-17)26-6/h10-14H,3,8-9H2,1-2,4-7H3.
What are the key properties of diethyl [2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] phosphate?
diethyl [2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] phosphate has a molecular weight of 452.44 g/mol, XLogP of 5.34, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl [2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] phosphate is sourced from PubChem (CID 59330764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).