1,2,3-trimethoxy-5-[(Z)-2-[4-methoxy-3-(methoxymethoxy)phenyl]ethenyl]benzene

C20H24O6 — CID 45487091

IUPAC1,2,3-trimethoxy-5-[(Z)-2-[4-methoxy-3-(methoxymethoxy)phenyl]ethenyl]benzene
SMILESCOCOc1cc(/C=C\c2cc(OC)c(OC)c(OC)c2)ccc1OC
InChIInChI=1S/C20H24O6/c1-21-13-26-17-10-14(8-9-16(17)22-2)6-7-15-11-18(23-3)20(25-5)19(12-15)24-4/h6-12H,13H2,1-5H3/b7-6-
InChIKeyPBOPSGZJMHMDNR-SREVYHEPSA-N
MW360.41 g/mol
LogP3.87
Rot. Bonds9

About 1,2,3-trimethoxy-5-[(Z)-2-[4-methoxy-3-(methoxymethoxy)phenyl]ethenyl]benzene

1,2,3-trimethoxy-5-[(Z)-2-[4-methoxy-3-(methoxymethoxy)phenyl]ethenyl]benzene (PubChem CID 45487091) has the molecular formula C20H24O6 and a molecular weight of 360.41 g/mol. Its IUPAC name is 1,2,3-trimethoxy-5-[(Z)-2-[4-methoxy-3-(methoxymethoxy)phenyl]ethenyl]benzene.

Molecular Properties

Compound Name1,2,3-trimethoxy-5-[(Z)-2-[4-methoxy-3-(methoxymethoxy)phenyl]ethenyl]benzene
PubChem CID45487091
Molecular FormulaC20H24O6
Molecular Weight360.41 g/mol
Exact Mass360.16
IUPAC Name1,2,3-trimethoxy-5-[(Z)-2-[4-methoxy-3-(methoxymethoxy)phenyl]ethenyl]benzene
SMILESCOCOc1cc(/C=C\c2cc(OC)c(OC)c(OC)c2)ccc1OC
InChIInChI=1S/C20H24O6/c1-21-13-26-17-10-14(8-9-16(17)22-2)6-7-15-11-18(23-3)20(25-5)19(12-15)24-4/h6-12H,13H2,1-5H3/b7-6-
InChIKeyPBOPSGZJMHMDNR-SREVYHEPSA-N
XLogP3.87
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethoxy-5-[(Z)-2-[4-methoxy-3-(methoxymethoxy)phenyl]ethenyl]benzene?
The IUPAC name of 1,2,3-trimethoxy-5-[(Z)-2-[4-methoxy-3-(methoxymethoxy)phenyl]ethenyl]benzene (CID 45487091) is 1,2,3-trimethoxy-5-[(Z)-2-[4-methoxy-3-(methoxymethoxy)phenyl]ethenyl]benzene.
What is the SMILES notation for 1,2,3-trimethoxy-5-[(Z)-2-[4-methoxy-3-(methoxymethoxy)phenyl]ethenyl]benzene?
The canonical SMILES for 1,2,3-trimethoxy-5-[(Z)-2-[4-methoxy-3-(methoxymethoxy)phenyl]ethenyl]benzene is COCOc1cc(/C=C\c2cc(OC)c(OC)c(OC)c2)ccc1OC.
What is the InChIKey of 1,2,3-trimethoxy-5-[(Z)-2-[4-methoxy-3-(methoxymethoxy)phenyl]ethenyl]benzene?
The InChIKey is PBOPSGZJMHMDNR-SREVYHEPSA-N. The full InChI is InChI=1S/C20H24O6/c1-21-13-26-17-10-14(8-9-16(17)22-2)6-7-15-11-18(23-3)20(25-5)19(12-15)24-4/h6-12H,13H2,1-5H3/b7-6-.
What are the key properties of 1,2,3-trimethoxy-5-[(Z)-2-[4-methoxy-3-(methoxymethoxy)phenyl]ethenyl]benzene?
1,2,3-trimethoxy-5-[(Z)-2-[4-methoxy-3-(methoxymethoxy)phenyl]ethenyl]benzene has a molecular weight of 360.41 g/mol, XLogP of 3.87, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethoxy-5-[(Z)-2-[4-methoxy-3-(methoxymethoxy)phenyl]ethenyl]benzene is sourced from PubChem (CID 45487091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).