1,2,3-trimethoxy-5-[[(E)-3-phenylprop-2-enoxy]methyl]benzene

C19H22O4 — CID 175119653

IUPAC1,2,3-trimethoxy-5-[[(E)-3-phenylprop-2-enoxy]methyl]benzene
SMILESCOc1cc(COC/C=C/c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C19H22O4/c1-20-17-12-16(13-18(21-2)19(17)22-3)14-23-11-7-10-15-8-5-4-6-9-15/h4-10,12-13H,11,14H2,1-3H3/b10-7+
InChIKeyJWWDCWZGPOQIHS-JXMROGBWSA-N
MW314.38 g/mol
LogP3.94
Rot. Bonds8

About 1,2,3-trimethoxy-5-[[(E)-3-phenylprop-2-enoxy]methyl]benzene

1,2,3-trimethoxy-5-[[(E)-3-phenylprop-2-enoxy]methyl]benzene (PubChem CID 175119653) has the molecular formula C19H22O4 and a molecular weight of 314.38 g/mol. Its IUPAC name is 1,2,3-trimethoxy-5-[[(E)-3-phenylprop-2-enoxy]methyl]benzene.

Molecular Properties

Compound Name1,2,3-trimethoxy-5-[[(E)-3-phenylprop-2-enoxy]methyl]benzene
PubChem CID175119653
Molecular FormulaC19H22O4
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Name1,2,3-trimethoxy-5-[[(E)-3-phenylprop-2-enoxy]methyl]benzene
SMILESCOc1cc(COC/C=C/c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C19H22O4/c1-20-17-12-16(13-18(21-2)19(17)22-3)14-23-11-7-10-15-8-5-4-6-9-15/h4-10,12-13H,11,14H2,1-3H3/b10-7+
InChIKeyJWWDCWZGPOQIHS-JXMROGBWSA-N
XLogP3.94
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethoxy-5-[[(E)-3-phenylprop-2-enoxy]methyl]benzene?
The IUPAC name of 1,2,3-trimethoxy-5-[[(E)-3-phenylprop-2-enoxy]methyl]benzene (CID 175119653) is 1,2,3-trimethoxy-5-[[(E)-3-phenylprop-2-enoxy]methyl]benzene.
What is the SMILES notation for 1,2,3-trimethoxy-5-[[(E)-3-phenylprop-2-enoxy]methyl]benzene?
The canonical SMILES for 1,2,3-trimethoxy-5-[[(E)-3-phenylprop-2-enoxy]methyl]benzene is COc1cc(COC/C=C/c2ccccc2)cc(OC)c1OC.
What is the InChIKey of 1,2,3-trimethoxy-5-[[(E)-3-phenylprop-2-enoxy]methyl]benzene?
The InChIKey is JWWDCWZGPOQIHS-JXMROGBWSA-N. The full InChI is InChI=1S/C19H22O4/c1-20-17-12-16(13-18(21-2)19(17)22-3)14-23-11-7-10-15-8-5-4-6-9-15/h4-10,12-13H,11,14H2,1-3H3/b10-7+.
What are the key properties of 1,2,3-trimethoxy-5-[[(E)-3-phenylprop-2-enoxy]methyl]benzene?
1,2,3-trimethoxy-5-[[(E)-3-phenylprop-2-enoxy]methyl]benzene has a molecular weight of 314.38 g/mol, XLogP of 3.94, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethoxy-5-[[(E)-3-phenylprop-2-enoxy]methyl]benzene is sourced from PubChem (CID 175119653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).