1-methoxy-2-(methoxymethoxy)-4-[(E)-2-[4-[(E)-2-[4-methoxy-3-(methoxymethoxy)phenyl]ethenyl]phenyl]ethenyl]benzene

C28H30O6 — CID 11730255

IUPAC1-methoxy-2-(methoxymethoxy)-4-[(E)-2-[4-[(E)-2-[4-methoxy-3-(methoxymethoxy)phenyl]ethenyl]phenyl]ethenyl]benzene
SMILESCOCOc1cc(/C=C/c2ccc(/C=C/c3ccc(OC)c(OCOC)c3)cc2)ccc1OC
InChIInChI=1S/C28H30O6/c1-29-19-33-27-17-23(13-15-25(27)31-3)11-9-21-5-7-22(8-6-21)10-12-24-14-16-26(32-4)28(18-24)34-20-30-2/h5-18H,19-20H2,1-4H3/b11-9+,12-10+
InChIKeyWVTBMALALBRDMQ-WGDLNXRISA-N
MW462.54 g/mol
LogP6.01
Rot. Bonds12

About 1-methoxy-2-(methoxymethoxy)-4-[(E)-2-[4-[(E)-2-[4-methoxy-3-(methoxymethoxy)phenyl]ethenyl]phenyl]ethenyl]benzene

1-methoxy-2-(methoxymethoxy)-4-[(E)-2-[4-[(E)-2-[4-methoxy-3-(methoxymethoxy)phenyl]ethenyl]phenyl]ethenyl]benzene (PubChem CID 11730255) has the molecular formula C28H30O6 and a molecular weight of 462.54 g/mol. Its IUPAC name is 1-methoxy-2-(methoxymethoxy)-4-[(E)-2-[4-[(E)-2-[4-methoxy-3-(methoxymethoxy)phenyl]ethenyl]phenyl]ethenyl]benzene.

Molecular Properties

Compound Name1-methoxy-2-(methoxymethoxy)-4-[(E)-2-[4-[(E)-2-[4-methoxy-3-(methoxymethoxy)phenyl]ethenyl]phenyl]ethenyl]benzene
PubChem CID11730255
Molecular FormulaC28H30O6
Molecular Weight462.54 g/mol
Exact Mass462.20
IUPAC Name1-methoxy-2-(methoxymethoxy)-4-[(E)-2-[4-[(E)-2-[4-methoxy-3-(methoxymethoxy)phenyl]ethenyl]phenyl]ethenyl]benzene
SMILESCOCOc1cc(/C=C/c2ccc(/C=C/c3ccc(OC)c(OCOC)c3)cc2)ccc1OC
InChIInChI=1S/C28H30O6/c1-29-19-33-27-17-23(13-15-25(27)31-3)11-9-21-5-7-22(8-6-21)10-12-24-14-16-26(32-4)28(18-24)34-20-30-2/h5-18H,19-20H2,1-4H3/b11-9+,12-10+
InChIKeyWVTBMALALBRDMQ-WGDLNXRISA-N
XLogP6.01
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.54
LogP ≤ 56.01
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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Related Compounds

1,2-bis(methoxymethoxy)-4-[(E)-prop-1-enyl]benzene
CID 58923294
2-[4-[2-[3,4-bis(methoxymethoxy)phenyl]ethenyl]phenyl]acetamide
CID 90856781
4-[(E)-2-[3,4-bis(methoxymethoxy)phenyl]ethenyl]benzenesulfonamide
CID 68976551
4-ethenyl-2-methoxy-1-(methoxymethoxy)benzene
CID 59623316
4-[3-methoxy-4-(methoxymethoxy)phenyl]but-3-en-1-ol
CID 54330886
3,4-bis(methoxymethoxy)benzaldehyde
CID 11746314
4-ethenyl-1,2-bis(methoxymethoxy)benzene
CID 57430947
1-[2-hydroxy-6-(methoxymethoxy)phenyl]-3-[4-methoxy-3-(methoxymethoxy)phenyl]prop-2-en-1-one
CID 123861395
1-methoxy-4-[2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-2-phenylmethoxybenzene
CID 54382192
1,2-bis(methoxymethoxy)-4-[(1E,3E)-4-(4-nitrophenyl)buta-1,3-dienyl]benzene
CID 87641751
methyl 4-[4-[3,4-bis(methoxymethoxy)phenyl]buta-1,3-dienyl]benzoate
CID 91216222
1-(methoxymethoxy)-4-[2-[4-(methoxymethoxy)phenyl]ethenyl]benzene
CID 5098450

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-(methoxymethoxy)-4-[(E)-2-[4-[(E)-2-[4-methoxy-3-(methoxymethoxy)phenyl]ethenyl]phenyl]ethenyl]benzene?
The IUPAC name of 1-methoxy-2-(methoxymethoxy)-4-[(E)-2-[4-[(E)-2-[4-methoxy-3-(methoxymethoxy)phenyl]ethenyl]phenyl]ethenyl]benzene (CID 11730255) is 1-methoxy-2-(methoxymethoxy)-4-[(E)-2-[4-[(E)-2-[4-methoxy-3-(methoxymethoxy)phenyl]ethenyl]phenyl]ethenyl]benzene.
What is the SMILES notation for 1-methoxy-2-(methoxymethoxy)-4-[(E)-2-[4-[(E)-2-[4-methoxy-3-(methoxymethoxy)phenyl]ethenyl]phenyl]ethenyl]benzene?
The canonical SMILES for 1-methoxy-2-(methoxymethoxy)-4-[(E)-2-[4-[(E)-2-[4-methoxy-3-(methoxymethoxy)phenyl]ethenyl]phenyl]ethenyl]benzene is COCOc1cc(/C=C/c2ccc(/C=C/c3ccc(OC)c(OCOC)c3)cc2)ccc1OC.
What is the InChIKey of 1-methoxy-2-(methoxymethoxy)-4-[(E)-2-[4-[(E)-2-[4-methoxy-3-(methoxymethoxy)phenyl]ethenyl]phenyl]ethenyl]benzene?
The InChIKey is WVTBMALALBRDMQ-WGDLNXRISA-N. The full InChI is InChI=1S/C28H30O6/c1-29-19-33-27-17-23(13-15-25(27)31-3)11-9-21-5-7-22(8-6-21)10-12-24-14-16-26(32-4)28(18-24)34-20-30-2/h5-18H,19-20H2,1-4H3/b11-9+,12-10+.
What are the key properties of 1-methoxy-2-(methoxymethoxy)-4-[(E)-2-[4-[(E)-2-[4-methoxy-3-(methoxymethoxy)phenyl]ethenyl]phenyl]ethenyl]benzene?
1-methoxy-2-(methoxymethoxy)-4-[(E)-2-[4-[(E)-2-[4-methoxy-3-(methoxymethoxy)phenyl]ethenyl]phenyl]ethenyl]benzene has a molecular weight of 462.54 g/mol, XLogP of 6.01, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-(methoxymethoxy)-4-[(E)-2-[4-[(E)-2-[4-methoxy-3-(methoxymethoxy)phenyl]ethenyl]phenyl]ethenyl]benzene is sourced from PubChem (CID 11730255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).