5-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2,4,6-trimethoxybenzene-1,3-diol

C17H18O6 — CID 171051478

IUPAC5-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2,4,6-trimethoxybenzene-1,3-diol
SMILESCOc1c(O)c(OC)c(/C=C\c2ccc(O)cc2)c(OC)c1O
InChIInChI=1S/C17H18O6/c1-21-15-12(9-6-10-4-7-11(18)8-5-10)16(22-2)14(20)17(23-3)13(15)19/h4-9,18-20H,1-3H3/b9-6-
InChIKeyYVJOQDFSMTXJCV-TWGQIWQCSA-N
MW318.33 g/mol
LogP3.00
Rot. Bonds5

About 5-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2,4,6-trimethoxybenzene-1,3-diol

5-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2,4,6-trimethoxybenzene-1,3-diol (PubChem CID 171051478) has the molecular formula C17H18O6 and a molecular weight of 318.33 g/mol. Its IUPAC name is 5-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2,4,6-trimethoxybenzene-1,3-diol.

Molecular Properties

Compound Name5-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2,4,6-trimethoxybenzene-1,3-diol
PubChem CID171051478
Molecular FormulaC17H18O6
Molecular Weight318.33 g/mol
Exact Mass318.11
IUPAC Name5-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2,4,6-trimethoxybenzene-1,3-diol
SMILESCOc1c(O)c(OC)c(/C=C\c2ccc(O)cc2)c(OC)c1O
InChIInChI=1S/C17H18O6/c1-21-15-12(9-6-10-4-7-11(18)8-5-10)16(22-2)14(20)17(23-3)13(15)19/h4-9,18-20H,1-3H3/b9-6-
InChIKeyYVJOQDFSMTXJCV-TWGQIWQCSA-N
XLogP3.00
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2,4,6-trimethoxybenzene-1,3-diol?
The IUPAC name of 5-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2,4,6-trimethoxybenzene-1,3-diol (CID 171051478) is 5-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2,4,6-trimethoxybenzene-1,3-diol.
What is the SMILES notation for 5-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2,4,6-trimethoxybenzene-1,3-diol?
The canonical SMILES for 5-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2,4,6-trimethoxybenzene-1,3-diol is COc1c(O)c(OC)c(/C=C\c2ccc(O)cc2)c(OC)c1O.
What is the InChIKey of 5-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2,4,6-trimethoxybenzene-1,3-diol?
The InChIKey is YVJOQDFSMTXJCV-TWGQIWQCSA-N. The full InChI is InChI=1S/C17H18O6/c1-21-15-12(9-6-10-4-7-11(18)8-5-10)16(22-2)14(20)17(23-3)13(15)19/h4-9,18-20H,1-3H3/b9-6-.
What are the key properties of 5-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2,4,6-trimethoxybenzene-1,3-diol?
5-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2,4,6-trimethoxybenzene-1,3-diol has a molecular weight of 318.33 g/mol, XLogP of 3.00, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2,4,6-trimethoxybenzene-1,3-diol is sourced from PubChem (CID 171051478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).