3-[2-(4-hydroxyphenyl)ethenyl]xanthen-9-one

C21H14O3 — CID 174928168

IUPAC3-[2-(4-hydroxyphenyl)ethenyl]xanthen-9-one
SMILESO=c1c2ccccc2oc2cc(C=Cc3ccc(O)cc3)ccc12
InChIInChI=1S/C21H14O3/c22-16-10-7-14(8-11-16)5-6-15-9-12-18-20(13-15)24-19-4-2-1-3-17(19)21(18)23/h1-13,22H
InChIKeyCXTDSPIHYKOXCJ-UHFFFAOYSA-N
MW314.34 g/mol
LogP4.82
Rot. Bonds2

About 3-[2-(4-hydroxyphenyl)ethenyl]xanthen-9-one

3-[2-(4-hydroxyphenyl)ethenyl]xanthen-9-one (PubChem CID 174928168) has the molecular formula C21H14O3 and a molecular weight of 314.34 g/mol. Its IUPAC name is 3-[2-(4-hydroxyphenyl)ethenyl]xanthen-9-one.

Molecular Properties

Compound Name3-[2-(4-hydroxyphenyl)ethenyl]xanthen-9-one
PubChem CID174928168
Molecular FormulaC21H14O3
Molecular Weight314.34 g/mol
Exact Mass314.09
IUPAC Name3-[2-(4-hydroxyphenyl)ethenyl]xanthen-9-one
SMILESO=c1c2ccccc2oc2cc(C=Cc3ccc(O)cc3)ccc12
InChIInChI=1S/C21H14O3/c22-16-10-7-14(8-11-16)5-6-15-9-12-18-20(13-15)24-19-4-2-1-3-17(19)21(18)23/h1-13,22H
InChIKeyCXTDSPIHYKOXCJ-UHFFFAOYSA-N
XLogP4.82
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-2-(4-hydroxyphenyl)ethenyl]chromen-4-one
CID 6479061
3-but-1-enylxanthen-9-one
CID 174636997
3-[(1Z,3E)-4-chloropenta-1,3-dienyl]xanthen-9-one
CID 145218435
2,3-bis(4-hydroxyphenyl)xanthen-9-one
CID 52942637
8-hydroxybenzo[b]xanthen-12-one
CID 135167525
ethyl propanoate;3-hydroxyxanthen-9-one
CID 174285230
3-hydroxy-2-[(E)-2-phenylethenyl]chromen-4-one
CID 735040
2-[(1Z,3Z)-penta-1,3-dienyl]xanthen-9-one
CID 145218621
2-chloro-3-hydroxyxanthen-9-one
CID 14663247
3-chloro-2-hydroxyxanthen-9-one
CID 15617016
trifluoromethanesulfonic acid;xanthen-9-one
CID 161488852
propane;xanthen-9-one
CID 90876458

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-hydroxyphenyl)ethenyl]xanthen-9-one?
The IUPAC name of 3-[2-(4-hydroxyphenyl)ethenyl]xanthen-9-one (CID 174928168) is 3-[2-(4-hydroxyphenyl)ethenyl]xanthen-9-one.
What is the SMILES notation for 3-[2-(4-hydroxyphenyl)ethenyl]xanthen-9-one?
The canonical SMILES for 3-[2-(4-hydroxyphenyl)ethenyl]xanthen-9-one is O=c1c2ccccc2oc2cc(C=Cc3ccc(O)cc3)ccc12.
What is the InChIKey of 3-[2-(4-hydroxyphenyl)ethenyl]xanthen-9-one?
The InChIKey is CXTDSPIHYKOXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14O3/c22-16-10-7-14(8-11-16)5-6-15-9-12-18-20(13-15)24-19-4-2-1-3-17(19)21(18)23/h1-13,22H.
What are the key properties of 3-[2-(4-hydroxyphenyl)ethenyl]xanthen-9-one?
3-[2-(4-hydroxyphenyl)ethenyl]xanthen-9-one has a molecular weight of 314.34 g/mol, XLogP of 4.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-hydroxyphenyl)ethenyl]xanthen-9-one is sourced from PubChem (CID 174928168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).