5-[(4-buta-2,3-dienoxyphenyl)methoxymethyl]-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran

C23H24O3 — CID 24970515

IUPAC5-[(4-buta-2,3-dienoxyphenyl)methoxymethyl]-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran
SMILESC=C=CCOc1ccc(COCc2ccc3c(c2)CC(C(=C)C)O3)cc1
InChIInChI=1S/C23H24O3/c1-4-5-12-25-21-9-6-18(7-10-21)15-24-16-19-8-11-22-20(13-19)14-23(26-22)17(2)3/h5-11,13,23H,1-2,12,14-16H2,3H3
InChIKeyUXMKTBMXHHRKAM-UHFFFAOYSA-N
MW348.44 g/mol
LogP5.00
Rot. Bonds8

About 5-[(4-buta-2,3-dienoxyphenyl)methoxymethyl]-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran

5-[(4-buta-2,3-dienoxyphenyl)methoxymethyl]-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran (PubChem CID 24970515) has the molecular formula C23H24O3 and a molecular weight of 348.44 g/mol. Its IUPAC name is 5-[(4-buta-2,3-dienoxyphenyl)methoxymethyl]-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-[(4-buta-2,3-dienoxyphenyl)methoxymethyl]-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran
PubChem CID24970515
Molecular FormulaC23H24O3
Molecular Weight348.44 g/mol
Exact Mass348.17
IUPAC Name5-[(4-buta-2,3-dienoxyphenyl)methoxymethyl]-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran
SMILESC=C=CCOc1ccc(COCc2ccc3c(c2)CC(C(=C)C)O3)cc1
InChIInChI=1S/C23H24O3/c1-4-5-12-25-21-9-6-18(7-10-21)15-24-16-19-8-11-22-20(13-19)14-23(26-22)17(2)3/h5-11,13,23H,1-2,12,14-16H2,3H3
InChIKeyUXMKTBMXHHRKAM-UHFFFAOYSA-N
XLogP5.00
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.44
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[(4-buta-2,3-dienoxyphenyl)methoxymethyl]-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Phaseollidin
CID 119268
Dehydrodiisoeugenol
CID 5379033
Licarin A
CID 5281836
Homopterocarpin
CID 101795
(6aR,11aR)-6a,11a-Dihydro-4,10-bis(3-methyl-2-buten-1-yl)-6H-benzofuro(3,2-c)(1)benzopyran-3,9-diol
CID 21141346
2,3-Dihydro-2-methylbenzofuran
CID 101130
(6aR,11aR)-6a,11a-Dihydro-10-(3-methyl-2-buten-1-yl)-6H-benzofuro[3,2-c][1]benzopyran-3,9-diol; Phaseolidin
CID 5117820
Erybreadin C
CID 21147013
(6aR,11aR)-6a,11a-Dihydro-1-methoxy-10-(3-methyl-2-buten-1-yl)-6H-benzofuro(3,2-c)(1)benzopyran-3,9-diol
CID 480873
Conocarpan
CID 10999992
Calopocarpin
CID 11709595
Isolicarin A
CID 51136353

Frequently Asked Questions

What is the IUPAC name of 5-[(4-buta-2,3-dienoxyphenyl)methoxymethyl]-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-[(4-buta-2,3-dienoxyphenyl)methoxymethyl]-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran (CID 24970515) is 5-[(4-buta-2,3-dienoxyphenyl)methoxymethyl]-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-[(4-buta-2,3-dienoxyphenyl)methoxymethyl]-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-[(4-buta-2,3-dienoxyphenyl)methoxymethyl]-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran is C=C=CCOc1ccc(COCc2ccc3c(c2)CC(C(=C)C)O3)cc1.
What is the InChIKey of 5-[(4-buta-2,3-dienoxyphenyl)methoxymethyl]-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran?
The InChIKey is UXMKTBMXHHRKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O3/c1-4-5-12-25-21-9-6-18(7-10-21)15-24-16-19-8-11-22-20(13-19)14-23(26-22)17(2)3/h5-11,13,23H,1-2,12,14-16H2,3H3.
What are the key properties of 5-[(4-buta-2,3-dienoxyphenyl)methoxymethyl]-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran?
5-[(4-buta-2,3-dienoxyphenyl)methoxymethyl]-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran has a molecular weight of 348.44 g/mol, XLogP of 5.00, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-buta-2,3-dienoxyphenyl)methoxymethyl]-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 24970515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).