1,2-bis(methoxymethoxy)-3-[(E)-2-(4-methoxyphenyl)ethenyl]benzene

C19H22O5 — CID 11994553

IUPAC1,2-bis(methoxymethoxy)-3-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
SMILESCOCOc1cccc(/C=C/c2ccc(OC)cc2)c1OCOC
InChIInChI=1S/C19H22O5/c1-20-13-23-18-6-4-5-16(19(18)24-14-21-2)10-7-15-8-11-17(22-3)12-9-15/h4-12H,13-14H2,1-3H3/b10-7+
InChIKeyBNROCOKZLCOHMW-JXMROGBWSA-N
MW330.38 g/mol
LogP3.83
Rot. Bonds9

About 1,2-bis(methoxymethoxy)-3-[(E)-2-(4-methoxyphenyl)ethenyl]benzene

1,2-bis(methoxymethoxy)-3-[(E)-2-(4-methoxyphenyl)ethenyl]benzene (PubChem CID 11994553) has the molecular formula C19H22O5 and a molecular weight of 330.38 g/mol. Its IUPAC name is 1,2-bis(methoxymethoxy)-3-[(E)-2-(4-methoxyphenyl)ethenyl]benzene.

Molecular Properties

Compound Name1,2-bis(methoxymethoxy)-3-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
PubChem CID11994553
Molecular FormulaC19H22O5
Molecular Weight330.38 g/mol
Exact Mass330.15
IUPAC Name1,2-bis(methoxymethoxy)-3-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
SMILESCOCOc1cccc(/C=C/c2ccc(OC)cc2)c1OCOC
InChIInChI=1S/C19H22O5/c1-20-13-23-18-6-4-5-16(19(18)24-14-21-2)10-7-15-8-11-17(22-3)12-9-15/h4-12H,13-14H2,1-3H3/b10-7+
InChIKeyBNROCOKZLCOHMW-JXMROGBWSA-N
XLogP3.83
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

[4-[(Z)-2-[2-(methoxymethoxy)phenyl]ethenyl]phenyl] acetate
CID 5364272
1-methoxy-4-[2-(4-methoxyphenyl)ethenyl]naphthalene
CID 5092945
1-(methoxymethoxy)-4-[2-[4-(methoxymethoxy)phenyl]ethenyl]benzene
CID 5098450
3-methoxy-2-(methoxymethoxy)benzaldehyde
CID 11644081
3-[2-methoxy-3-(methoxymethoxy)phenyl]prop-2-enoic acid
CID 69144413
(1E,6E)-1,7-bis[3-methoxy-2-(methoxymethoxy)phenyl]hepta-1,6-diene-3,5-dione
CID 68553300
1,2-diethoxy-3-(2-phenylethenyl)benzene
CID 67865300
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
4-methoxy-2-(methoxymethoxy)-1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]benzene
CID 10781559
1,2-bis[(1E)-4-(4-methoxyphenyl)buta-1,3-dienyl]benzene
CID 53491376
1-methoxy-2-(methoxymethoxy)-4-[(E)-2-[4-[(E)-2-[4-methoxy-3-(methoxymethoxy)phenyl]ethenyl]phenyl]ethenyl]benzene
CID 11730255
1-[(E)-2-(4-chlorophenyl)ethenyl]-2,3-dimethoxybenzene
CID 138660638

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(methoxymethoxy)-3-[(E)-2-(4-methoxyphenyl)ethenyl]benzene?
The IUPAC name of 1,2-bis(methoxymethoxy)-3-[(E)-2-(4-methoxyphenyl)ethenyl]benzene (CID 11994553) is 1,2-bis(methoxymethoxy)-3-[(E)-2-(4-methoxyphenyl)ethenyl]benzene.
What is the SMILES notation for 1,2-bis(methoxymethoxy)-3-[(E)-2-(4-methoxyphenyl)ethenyl]benzene?
The canonical SMILES for 1,2-bis(methoxymethoxy)-3-[(E)-2-(4-methoxyphenyl)ethenyl]benzene is COCOc1cccc(/C=C/c2ccc(OC)cc2)c1OCOC.
What is the InChIKey of 1,2-bis(methoxymethoxy)-3-[(E)-2-(4-methoxyphenyl)ethenyl]benzene?
The InChIKey is BNROCOKZLCOHMW-JXMROGBWSA-N. The full InChI is InChI=1S/C19H22O5/c1-20-13-23-18-6-4-5-16(19(18)24-14-21-2)10-7-15-8-11-17(22-3)12-9-15/h4-12H,13-14H2,1-3H3/b10-7+.
What are the key properties of 1,2-bis(methoxymethoxy)-3-[(E)-2-(4-methoxyphenyl)ethenyl]benzene?
1,2-bis(methoxymethoxy)-3-[(E)-2-(4-methoxyphenyl)ethenyl]benzene has a molecular weight of 330.38 g/mol, XLogP of 3.83, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(methoxymethoxy)-3-[(E)-2-(4-methoxyphenyl)ethenyl]benzene is sourced from PubChem (CID 11994553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).