[2-hydroxy-6-methoxy-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] dihydrogen phosphate

C18H21O9P — CID 53465498

IUPAC[2-hydroxy-6-methoxy-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] dihydrogen phosphate
SMILESCOc1cc(/C=C\c2ccc(OC)c(OP(=O)(O)O)c2O)cc(OC)c1OC
InChIInChI=1S/C18H21O9P/c1-23-13-8-7-12(16(19)18(13)27-28(20,21)22)6-5-11-9-14(24-2)17(26-4)15(10-11)25-3/h5-10,19H,1-4H3,(H2,20,21,22)/b6-5-
InChIKeyQKUYFYMNSOBUDG-WAYWQWQTSA-N
MW412.33 g/mol
LogP3.07
Rot. Bonds8

About [2-hydroxy-6-methoxy-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] dihydrogen phosphate

[2-hydroxy-6-methoxy-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] dihydrogen phosphate (PubChem CID 53465498) has the molecular formula C18H21O9P and a molecular weight of 412.33 g/mol. Its IUPAC name is [2-hydroxy-6-methoxy-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] dihydrogen phosphate.

Molecular Properties

Compound Name[2-hydroxy-6-methoxy-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] dihydrogen phosphate
PubChem CID53465498
Molecular FormulaC18H21O9P
Molecular Weight412.33 g/mol
Exact Mass412.09
IUPAC Name[2-hydroxy-6-methoxy-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] dihydrogen phosphate
SMILESCOc1cc(/C=C\c2ccc(OC)c(OP(=O)(O)O)c2O)cc(OC)c1OC
InChIInChI=1S/C18H21O9P/c1-23-13-8-7-12(16(19)18(13)27-28(20,21)22)6-5-11-9-14(24-2)17(26-4)15(10-11)25-3/h5-10,19H,1-4H3,(H2,20,21,22)/b6-5-
InChIKeyQKUYFYMNSOBUDG-WAYWQWQTSA-N
XLogP3.07
TPSA123.91 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.33
LogP ≤ 53.07
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'}

Analyze [2-hydroxy-6-methoxy-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] dihydrogen phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tetrasodium;[3-[(Z)-2-(3,4-dimethoxy-5-phosphonatooxyphenyl)ethenyl]-2-hydroxy-6-methoxyphenyl] phosphate
CID 44584311
[3-[2-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]ethenyl]-2-hydroxy-6-methoxyphenyl] dihydrogen phosphate
CID 123363099
sodium [2-methoxy-3-phosphonooxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] dihydrogen phosphate
CID 10142508
disodium;[2-hydroxy-3-methoxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] phosphate
CID 53465723
5-[2-(3,4-dimethoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene;phosphoric acid
CID 69301542
disodium;[2,6-dimethoxy-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] phosphate
CID 58600722
3-[2-(3,4,5-trimethoxyphenyl)ethenyl]benzene-1,2-diol
CID 69301541
trizinc;[2,3-dimethoxy-5-[(Z)-2-(4-methoxy-2,3-diphosphonatooxyphenyl)ethenyl]phenyl] phosphate
CID 45268839
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-hydroxy-6-methoxy-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]oxane-2-carboxylic acid
CID 46848776
CID 59087049
CID 59087049
[2-bromo-6-methoxy-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]-trihydroxyphosphanium
CID 89269632
[2-methoxy-5-[(E)-3-oxo-3-(3,4,5-trimethoxyphenyl)prop-1-enyl]phenyl] dihydrogen phosphate
CID 10151116

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-6-methoxy-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] dihydrogen phosphate?
The IUPAC name of [2-hydroxy-6-methoxy-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] dihydrogen phosphate (CID 53465498) is [2-hydroxy-6-methoxy-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] dihydrogen phosphate.
What is the SMILES notation for [2-hydroxy-6-methoxy-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] dihydrogen phosphate?
The canonical SMILES for [2-hydroxy-6-methoxy-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] dihydrogen phosphate is COc1cc(/C=C\c2ccc(OC)c(OP(=O)(O)O)c2O)cc(OC)c1OC.
What is the InChIKey of [2-hydroxy-6-methoxy-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] dihydrogen phosphate?
The InChIKey is QKUYFYMNSOBUDG-WAYWQWQTSA-N. The full InChI is InChI=1S/C18H21O9P/c1-23-13-8-7-12(16(19)18(13)27-28(20,21)22)6-5-11-9-14(24-2)17(26-4)15(10-11)25-3/h5-10,19H,1-4H3,(H2,20,21,22)/b6-5-.
What are the key properties of [2-hydroxy-6-methoxy-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] dihydrogen phosphate?
[2-hydroxy-6-methoxy-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] dihydrogen phosphate has a molecular weight of 412.33 g/mol, XLogP of 3.07, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-6-methoxy-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] dihydrogen phosphate is sourced from PubChem (CID 53465498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).