[5-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2-methoxyphenyl] methyl hydrogen phosphate

C19H23O8P — CID 118421920

IUPAC[5-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2-methoxyphenyl] methyl hydrogen phosphate
SMILESCOc1ccc(/C=C\c2cc(CO)c(CO)c(OC)c2)cc1OP(=O)(O)OC
InChIInChI=1S/C19H23O8P/c1-24-17-7-6-13(9-19(17)27-28(22,23)26-3)4-5-14-8-15(11-20)16(12-21)18(10-14)25-2/h4-10,20-21H,11-12H2,1-3H3,(H,22,23)/b5-4-
InChIKeyFVLMRXNNVLQQDZ-PLNGDYQASA-N
MW410.36 g/mol
LogP2.98
Rot. Bonds9

About [5-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2-methoxyphenyl] methyl hydrogen phosphate

[5-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2-methoxyphenyl] methyl hydrogen phosphate (PubChem CID 118421920) has the molecular formula C19H23O8P and a molecular weight of 410.36 g/mol. Its IUPAC name is [5-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2-methoxyphenyl] methyl hydrogen phosphate.

Molecular Properties

Compound Name[5-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2-methoxyphenyl] methyl hydrogen phosphate
PubChem CID118421920
Molecular FormulaC19H23O8P
Molecular Weight410.36 g/mol
Exact Mass410.11
IUPAC Name[5-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2-methoxyphenyl] methyl hydrogen phosphate
SMILESCOc1ccc(/C=C\c2cc(CO)c(CO)c(OC)c2)cc1OP(=O)(O)OC
InChIInChI=1S/C19H23O8P/c1-24-17-7-6-13(9-19(17)27-28(22,23)26-3)4-5-14-8-15(11-20)16(12-21)18(10-14)25-2/h4-10,20-21H,11-12H2,1-3H3,(H,22,23)/b5-4-
InChIKeyFVLMRXNNVLQQDZ-PLNGDYQASA-N
XLogP2.98
TPSA114.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.36
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[5-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2-methoxyphenyl] cyclohexyl hydrogen phosphate
CID 118421929
[2-(hydroxymethyl)-3-methoxy-5-[(Z)-2-(4-methoxy-3-methylphenyl)ethenyl]phenyl]methanol
CID 58173633
[3-[2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2-hydroxy-6-methoxyphenyl] dihydrogen phosphate
CID 123363099
[5-[(Z)-2-(2,3-diamino-4-methoxyphenyl)ethenyl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol
CID 118421895
(E)-3-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]prop-2-enoic acid
CID 155606413
[2-(hydroxymethyl)-3-methoxy-5-[(Z)-2-[3-nitro-4-(2,2,2-trifluoroethoxy)phenyl]ethenyl]phenyl]methanol
CID 89207407
5-[2-(3,4-dimethoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene;phosphoric acid
CID 69301542
5-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2-(oxiran-2-yl)phenol
CID 89014921
2-[2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-5-methoxybenzene-1,4-diol
CID 123744065
[2-(hydroxymethyl)-3-methoxy-5-[2-(4-methoxy-3,5-dinitrophenyl)ethenyl]phenyl]methanol
CID 123748761
[5-[2-(2-amino-4-methoxyphenyl)ethenyl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol
CID 123340958
bis(2-amino-3-(1H-imidazol-3-ium-5-yl)propanoic acid);bis([5-[(Z)-2-[4-(hydroxymethyl)-3,5-dimethoxyphenyl]ethenyl]-2-methoxyphenyl] dihydrogen phosphate)
CID 157109702

Frequently Asked Questions

What is the IUPAC name of [5-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2-methoxyphenyl] methyl hydrogen phosphate?
The IUPAC name of [5-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2-methoxyphenyl] methyl hydrogen phosphate (CID 118421920) is [5-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2-methoxyphenyl] methyl hydrogen phosphate.
What is the SMILES notation for [5-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2-methoxyphenyl] methyl hydrogen phosphate?
The canonical SMILES for [5-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2-methoxyphenyl] methyl hydrogen phosphate is COc1ccc(/C=C\c2cc(CO)c(CO)c(OC)c2)cc1OP(=O)(O)OC.
What is the InChIKey of [5-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2-methoxyphenyl] methyl hydrogen phosphate?
The InChIKey is FVLMRXNNVLQQDZ-PLNGDYQASA-N. The full InChI is InChI=1S/C19H23O8P/c1-24-17-7-6-13(9-19(17)27-28(22,23)26-3)4-5-14-8-15(11-20)16(12-21)18(10-14)25-2/h4-10,20-21H,11-12H2,1-3H3,(H,22,23)/b5-4-.
What are the key properties of [5-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2-methoxyphenyl] methyl hydrogen phosphate?
[5-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2-methoxyphenyl] methyl hydrogen phosphate has a molecular weight of 410.36 g/mol, XLogP of 2.98, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(Z)-2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2-methoxyphenyl] methyl hydrogen phosphate is sourced from PubChem (CID 118421920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).