[3-methoxy-2-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]phenyl] dihydrogen phosphate

C17H17O7P — CID 70506788

IUPAC[3-methoxy-2-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]phenyl] dihydrogen phosphate
SMILESCOc1ccccc1/C=C/C(=O)c1c(OC)cccc1OP(=O)(O)O
InChIInChI=1S/C17H17O7P/c1-22-14-7-4-3-6-12(14)10-11-13(18)17-15(23-2)8-5-9-16(17)24-25(19,20)21/h3-11H,1-2H3,(H2,19,20,21)/b11-10+
InChIKeySVVQTSVSBZQOFJ-ZHACJKMWSA-N
MW364.29 g/mol
LogP3.07
Rot. Bonds7

About [3-methoxy-2-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]phenyl] dihydrogen phosphate

[3-methoxy-2-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]phenyl] dihydrogen phosphate (PubChem CID 70506788) has the molecular formula C17H17O7P and a molecular weight of 364.29 g/mol. Its IUPAC name is [3-methoxy-2-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]phenyl] dihydrogen phosphate.

Molecular Properties

Compound Name[3-methoxy-2-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]phenyl] dihydrogen phosphate
PubChem CID70506788
Molecular FormulaC17H17O7P
Molecular Weight364.29 g/mol
Exact Mass364.07
IUPAC Name[3-methoxy-2-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]phenyl] dihydrogen phosphate
SMILESCOc1ccccc1/C=C/C(=O)c1c(OC)cccc1OP(=O)(O)O
InChIInChI=1S/C17H17O7P/c1-22-14-7-4-3-6-12(14)10-11-13(18)17-15(23-2)8-5-9-16(17)24-25(19,20)21/h3-11H,1-2H3,(H2,19,20,21)/b11-10+
InChIKeySVVQTSVSBZQOFJ-ZHACJKMWSA-N
XLogP3.07
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.29
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-(2-methoxyphenyl)-1-phenylprop-2-en-1-one
CID 25021886
3-(2-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 3292811
[2-(3-oxo-3-phenylprop-1-enyl)phenyl] 2,6-dimethoxybenzoate
CID 3498257
(E)-3-(2-methoxyphenyl)-1-pyridin-4-ylprop-2-en-1-one
CID 6262995
[2-[3-(2-methoxyphenyl)prop-2-enoyl]phenyl] acetate
CID 71385450
N-hydroxy-3-(2-methoxyphenyl)prop-2-enamide
CID 123173944
[3,5-dimethoxy-2-(3-thiophen-2-ylprop-2-enoyl)phenyl] dihydrogen phosphate
CID 54276573
2-[3-(2-methoxyphenyl)prop-2-enoylamino]acetyl chloride
CID 57046657
N-benzyl-3-(2-methoxyphenyl)prop-2-enamide
CID 2927846
(E)-1-(2-methoxy-4-methylphenyl)-3-(2-methoxyphenyl)prop-2-en-1-one
CID 24561832
(1E,6E)-5-hydroxy-1,7-bis(2-methoxyphenyl)hepta-1,4,6-trien-3-one
CID 153275178
(Z)-1,1,1-trifluoro-4-(2-methoxyphenyl)but-3-en-2-one
CID 23274353

Frequently Asked Questions

What is the IUPAC name of [3-methoxy-2-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]phenyl] dihydrogen phosphate?
The IUPAC name of [3-methoxy-2-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]phenyl] dihydrogen phosphate (CID 70506788) is [3-methoxy-2-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]phenyl] dihydrogen phosphate.
What is the SMILES notation for [3-methoxy-2-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]phenyl] dihydrogen phosphate?
The canonical SMILES for [3-methoxy-2-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]phenyl] dihydrogen phosphate is COc1ccccc1/C=C/C(=O)c1c(OC)cccc1OP(=O)(O)O.
What is the InChIKey of [3-methoxy-2-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]phenyl] dihydrogen phosphate?
The InChIKey is SVVQTSVSBZQOFJ-ZHACJKMWSA-N. The full InChI is InChI=1S/C17H17O7P/c1-22-14-7-4-3-6-12(14)10-11-13(18)17-15(23-2)8-5-9-16(17)24-25(19,20)21/h3-11H,1-2H3,(H2,19,20,21)/b11-10+.
What are the key properties of [3-methoxy-2-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]phenyl] dihydrogen phosphate?
[3-methoxy-2-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]phenyl] dihydrogen phosphate has a molecular weight of 364.29 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-2-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]phenyl] dihydrogen phosphate is sourced from PubChem (CID 70506788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).