1,2,3-trimethoxy-5-[(E)-1-phenylbut-2-enyl]benzene

C19H22O3 — CID 102143626

IUPAC1,2,3-trimethoxy-5-[(E)-1-phenylbut-2-enyl]benzene
SMILESC/C=C/C(c1ccccc1)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C19H22O3/c1-5-9-16(14-10-7-6-8-11-14)15-12-17(20-2)19(22-4)18(13-15)21-3/h5-13,16H,1-4H3/b9-5+
InChIKeyTWAWZCURHMVEIJ-WEVVVXLNSA-N
MW298.38 g/mol
LogP4.42
Rot. Bonds6

About 1,2,3-trimethoxy-5-[(E)-1-phenylbut-2-enyl]benzene

1,2,3-trimethoxy-5-[(E)-1-phenylbut-2-enyl]benzene (PubChem CID 102143626) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is 1,2,3-trimethoxy-5-[(E)-1-phenylbut-2-enyl]benzene.

Molecular Properties

Compound Name1,2,3-trimethoxy-5-[(E)-1-phenylbut-2-enyl]benzene
PubChem CID102143626
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Name1,2,3-trimethoxy-5-[(E)-1-phenylbut-2-enyl]benzene
SMILESC/C=C/C(c1ccccc1)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C19H22O3/c1-5-9-16(14-10-7-6-8-11-14)15-12-17(20-2)19(22-4)18(13-15)21-3/h5-13,16H,1-4H3/b9-5+
InChIKeyTWAWZCURHMVEIJ-WEVVVXLNSA-N
XLogP4.42
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[bromo(phenyl)methyl]-1,2,3-trimethoxybenzene
CID 61083701
1,5-diphenyl-3-(3,4,5-trimethoxyphenyl)pentane-1,5-dione
CID 2731026
[(E,1S)-1-methoxybut-2-enyl]benzene
CID 129385395
1-[(R)-phenyl-(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 7016984
(4-methoxynaphthalen-2-yl)-phenylmethanol
CID 72942487
2-anilino-2-(3,4,5-trimethoxyphenyl)acetonitrile
CID 102470175
(1R)-1-(3,4,5-trimethoxyphenyl)ethanol
CID 63365303
benzoic acid;methyl (E)-5-oxo-5-phenyl-2-(3,4,5-trimethoxyphenyl)pent-3-enoate
CID 175023803
(1R)-N-benzyl-1-(3,4,5-trimethoxyphenyl)but-3-en-1-amine
CID 101268335
(E)-N-benzhydryl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 1186267
[(Z)-pent-3-en-2-yl]benzene
CID 12697650
1-(3-ethoxy-4,5-dimethoxyphenyl)ethanamine
CID 175788959

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethoxy-5-[(E)-1-phenylbut-2-enyl]benzene?
The IUPAC name of 1,2,3-trimethoxy-5-[(E)-1-phenylbut-2-enyl]benzene (CID 102143626) is 1,2,3-trimethoxy-5-[(E)-1-phenylbut-2-enyl]benzene.
What is the SMILES notation for 1,2,3-trimethoxy-5-[(E)-1-phenylbut-2-enyl]benzene?
The canonical SMILES for 1,2,3-trimethoxy-5-[(E)-1-phenylbut-2-enyl]benzene is C/C=C/C(c1ccccc1)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 1,2,3-trimethoxy-5-[(E)-1-phenylbut-2-enyl]benzene?
The InChIKey is TWAWZCURHMVEIJ-WEVVVXLNSA-N. The full InChI is InChI=1S/C19H22O3/c1-5-9-16(14-10-7-6-8-11-14)15-12-17(20-2)19(22-4)18(13-15)21-3/h5-13,16H,1-4H3/b9-5+.
What are the key properties of 1,2,3-trimethoxy-5-[(E)-1-phenylbut-2-enyl]benzene?
1,2,3-trimethoxy-5-[(E)-1-phenylbut-2-enyl]benzene has a molecular weight of 298.38 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethoxy-5-[(E)-1-phenylbut-2-enyl]benzene is sourced from PubChem (CID 102143626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).