[5-[(1E,3E)-4-dibenzofuran-2-ylbuta-1,3-dienyl]-2-hydroxyphenyl] formate

C23H16O4 — CID 58130846

IUPAC[5-[(1E,3E)-4-dibenzofuran-2-ylbuta-1,3-dienyl]-2-hydroxyphenyl] formate
SMILESO=COc1cc(/C=C/C=C/c2ccc3oc4ccccc4c3c2)ccc1O
InChIInChI=1S/C23H16O4/c24-15-26-23-14-17(9-11-20(23)25)6-2-1-5-16-10-12-22-19(13-16)18-7-3-4-8-21(18)27-22/h1-15,25H/b5-1+,6-2+
InChIKeyVFDZRUYCKQHEFG-IJIVKGSJSA-N
MW356.38 g/mol
LogP5.55
Rot. Bonds5

About [5-[(1E,3E)-4-dibenzofuran-2-ylbuta-1,3-dienyl]-2-hydroxyphenyl] formate

[5-[(1E,3E)-4-dibenzofuran-2-ylbuta-1,3-dienyl]-2-hydroxyphenyl] formate (PubChem CID 58130846) has the molecular formula C23H16O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is [5-[(1E,3E)-4-dibenzofuran-2-ylbuta-1,3-dienyl]-2-hydroxyphenyl] formate.

Molecular Properties

Compound Name[5-[(1E,3E)-4-dibenzofuran-2-ylbuta-1,3-dienyl]-2-hydroxyphenyl] formate
PubChem CID58130846
Molecular FormulaC23H16O4
Molecular Weight356.38 g/mol
Exact Mass356.10
IUPAC Name[5-[(1E,3E)-4-dibenzofuran-2-ylbuta-1,3-dienyl]-2-hydroxyphenyl] formate
SMILESO=COc1cc(/C=C/C=C/c2ccc3oc4ccccc4c3c2)ccc1O
InChIInChI=1S/C23H16O4/c24-15-26-23-14-17(9-11-20(23)25)6-2-1-5-16-10-12-22-19(13-16)18-7-3-4-8-21(18)27-22/h1-15,25H/b5-1+,6-2+
InChIKeyVFDZRUYCKQHEFG-IJIVKGSJSA-N
XLogP5.55
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.38
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(1E,3E)-4-dibenzofuran-2-ylbuta-1,3-dienyl]-2-(methylperoxyamino)phenol
CID 88993589
[2-(3-formyloxydibenzofuran-2-yl)phenyl] formate
CID 156677793
[5-[(E)-3-(2,6-dimethylpyran-4-ylidene)prop-1-enyl]-2-hydroxyphenyl] formate
CID 58131013
2-[(1Z,3Z)-penta-1,3-dienyl]xanthen-9-one
CID 145218621
1-dibenzofuran-2-yl-5-phenylpenta-2,4-dien-1-one
CID 3123842
4-[(1E,3E)-4-(3,4-dimethoxyphenyl)buta-1,3-dienyl]-2-methoxyphenol
CID 87643823
(2-oxochromen-4-yl) (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
CID 162648223
3-(4-hydroxy-3-methoxyphenyl)prop-2-enal;(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal
CID 172694499
4-[(E)-2-dibenzofuran-2-ylethenyl]-2-methylpyridine
CID 126725895
[4-(dibenzofuran-2-carbonyl)phenyl]-dibenzofuran-2-ylmethanone
CID 71375763
1-dibenzofuran-2-yloxydibenzofuran-2-ol
CID 135058246
(2-hydroxydibenzofuran-3-yl) hydrogen carbonate
CID 70402256

Frequently Asked Questions

What is the IUPAC name of [5-[(1E,3E)-4-dibenzofuran-2-ylbuta-1,3-dienyl]-2-hydroxyphenyl] formate?
The IUPAC name of [5-[(1E,3E)-4-dibenzofuran-2-ylbuta-1,3-dienyl]-2-hydroxyphenyl] formate (CID 58130846) is [5-[(1E,3E)-4-dibenzofuran-2-ylbuta-1,3-dienyl]-2-hydroxyphenyl] formate.
What is the SMILES notation for [5-[(1E,3E)-4-dibenzofuran-2-ylbuta-1,3-dienyl]-2-hydroxyphenyl] formate?
The canonical SMILES for [5-[(1E,3E)-4-dibenzofuran-2-ylbuta-1,3-dienyl]-2-hydroxyphenyl] formate is O=COc1cc(/C=C/C=C/c2ccc3oc4ccccc4c3c2)ccc1O.
What is the InChIKey of [5-[(1E,3E)-4-dibenzofuran-2-ylbuta-1,3-dienyl]-2-hydroxyphenyl] formate?
The InChIKey is VFDZRUYCKQHEFG-IJIVKGSJSA-N. The full InChI is InChI=1S/C23H16O4/c24-15-26-23-14-17(9-11-20(23)25)6-2-1-5-16-10-12-22-19(13-16)18-7-3-4-8-21(18)27-22/h1-15,25H/b5-1+,6-2+.
What are the key properties of [5-[(1E,3E)-4-dibenzofuran-2-ylbuta-1,3-dienyl]-2-hydroxyphenyl] formate?
[5-[(1E,3E)-4-dibenzofuran-2-ylbuta-1,3-dienyl]-2-hydroxyphenyl] formate has a molecular weight of 356.38 g/mol, XLogP of 5.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(1E,3E)-4-dibenzofuran-2-ylbuta-1,3-dienyl]-2-hydroxyphenyl] formate is sourced from PubChem (CID 58130846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).