[(E)-3-(2-methoxyphenyl)prop-2-enyl] phosphono hydrogen phosphate

C10H14O8P2 — CID 155543035

IUPAC[(E)-3-(2-methoxyphenyl)prop-2-enyl] phosphono hydrogen phosphate
SMILESCOc1ccccc1/C=C/COP(=O)(O)OP(=O)(O)O
InChIInChI=1S/C10H14O8P2/c1-16-10-7-3-2-5-9(10)6-4-8-17-20(14,15)18-19(11,12)13/h2-7H,8H2,1H3,(H,14,15)(H2,11,12,13)/b6-4+
InChIKeySJHCYBQRGDYZSR-GQCTYLIASA-N
MW324.16 g/mol
LogP1.93
Rot. Bonds7

About [(E)-3-(2-methoxyphenyl)prop-2-enyl] phosphono hydrogen phosphate

[(E)-3-(2-methoxyphenyl)prop-2-enyl] phosphono hydrogen phosphate (PubChem CID 155543035) has the molecular formula C10H14O8P2 and a molecular weight of 324.16 g/mol. Its IUPAC name is [(E)-3-(2-methoxyphenyl)prop-2-enyl] phosphono hydrogen phosphate.

Molecular Properties

Compound Name[(E)-3-(2-methoxyphenyl)prop-2-enyl] phosphono hydrogen phosphate
PubChem CID155543035
Molecular FormulaC10H14O8P2
Molecular Weight324.16 g/mol
Exact Mass324.02
IUPAC Name[(E)-3-(2-methoxyphenyl)prop-2-enyl] phosphono hydrogen phosphate
SMILESCOc1ccccc1/C=C/COP(=O)(O)OP(=O)(O)O
InChIInChI=1S/C10H14O8P2/c1-16-10-7-3-2-5-9(10)6-4-8-17-20(14,15)18-19(11,12)13/h2-7H,8H2,1H3,(H,14,15)(H2,11,12,13)/b6-4+
InChIKeySJHCYBQRGDYZSR-GQCTYLIASA-N
XLogP1.93
TPSA122.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.16
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2-methoxyphenyl)prop-2-en-1-ol
CID 11400969
1,7-bis(2-methoxyphenyl)hepta-1,6-dien-4-one
CID 140987321
1-methoxy-2-[(E)-3-phenoxyprop-1-enyl]benzene
CID 67215541
(E)-4-(2-methoxyphenyl)but-3-en-1-ol
CID 15330930
(Z)-4-(2-methoxyphenyl)but-3-en-1-ol
CID 11789784
(2-but-1-enylphenyl) dihydrogen phosphate
CID 66677779
4-(2-methoxyphenyl)but-3-enamide
CID 170797506
1-methoxy-2-[(1E,5E)-3,3,4,4-tetradeuterio-6-(2-methoxyphenyl)hexa-1,5-dienyl]benzene
CID 10709219
3-(2-methoxyphenyl)prop-2-enyl cyclopropanecarboxylate
CID 54289019
N-[3-(2-methoxyphenyl)prop-2-enyl]acetamide
CID 169465048
1-(2-fluoroethenyl)-2-methoxybenzene
CID 134862998
[(E)-3-(2,4,5-trimethoxyphenyl)prop-2-enyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 155530627

Frequently Asked Questions

What is the IUPAC name of [(E)-3-(2-methoxyphenyl)prop-2-enyl] phosphono hydrogen phosphate?
The IUPAC name of [(E)-3-(2-methoxyphenyl)prop-2-enyl] phosphono hydrogen phosphate (CID 155543035) is [(E)-3-(2-methoxyphenyl)prop-2-enyl] phosphono hydrogen phosphate.
What is the SMILES notation for [(E)-3-(2-methoxyphenyl)prop-2-enyl] phosphono hydrogen phosphate?
The canonical SMILES for [(E)-3-(2-methoxyphenyl)prop-2-enyl] phosphono hydrogen phosphate is COc1ccccc1/C=C/COP(=O)(O)OP(=O)(O)O.
What is the InChIKey of [(E)-3-(2-methoxyphenyl)prop-2-enyl] phosphono hydrogen phosphate?
The InChIKey is SJHCYBQRGDYZSR-GQCTYLIASA-N. The full InChI is InChI=1S/C10H14O8P2/c1-16-10-7-3-2-5-9(10)6-4-8-17-20(14,15)18-19(11,12)13/h2-7H,8H2,1H3,(H,14,15)(H2,11,12,13)/b6-4+.
What are the key properties of [(E)-3-(2-methoxyphenyl)prop-2-enyl] phosphono hydrogen phosphate?
[(E)-3-(2-methoxyphenyl)prop-2-enyl] phosphono hydrogen phosphate has a molecular weight of 324.16 g/mol, XLogP of 1.93, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-(2-methoxyphenyl)prop-2-enyl] phosphono hydrogen phosphate is sourced from PubChem (CID 155543035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).