2-[2-(2-hydroxyphenyl)ethenyl]anthracene-9,10-dione

C22H14O3 — CID 175395708

IUPAC2-[2-(2-hydroxyphenyl)ethenyl]anthracene-9,10-dione
SMILESO=C1c2ccccc2C(=O)c2cc(C=Cc3ccccc3O)ccc21
InChIInChI=1S/C22H14O3/c23-20-8-4-1-5-15(20)11-9-14-10-12-18-19(13-14)22(25)17-7-3-2-6-16(17)21(18)24/h1-13,23H
InChIKeyDQMJXTNZDZNCFD-UHFFFAOYSA-N
MW326.35 g/mol
LogP4.34
Rot. Bonds2

About 2-[2-(2-hydroxyphenyl)ethenyl]anthracene-9,10-dione

2-[2-(2-hydroxyphenyl)ethenyl]anthracene-9,10-dione (PubChem CID 175395708) has the molecular formula C22H14O3 and a molecular weight of 326.35 g/mol. Its IUPAC name is 2-[2-(2-hydroxyphenyl)ethenyl]anthracene-9,10-dione.

Molecular Properties

Compound Name2-[2-(2-hydroxyphenyl)ethenyl]anthracene-9,10-dione
PubChem CID175395708
Molecular FormulaC22H14O3
Molecular Weight326.35 g/mol
Exact Mass326.09
IUPAC Name2-[2-(2-hydroxyphenyl)ethenyl]anthracene-9,10-dione
SMILESO=C1c2ccccc2C(=O)c2cc(C=Cc3ccccc3O)ccc21
InChIInChI=1S/C22H14O3/c23-20-8-4-1-5-15(20)11-9-14-10-12-18-19(13-14)22(25)17-7-3-2-6-16(17)21(18)24/h1-13,23H
InChIKeyDQMJXTNZDZNCFD-UHFFFAOYSA-N
XLogP4.34
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-2-(2-nitrophenyl)ethenyl]anthracene-9,10-dione
CID 175395824
2-[2-(4-aminophenyl)ethenyl]anthracene-9,10-dione
CID 175395757
2-[(Z)-2-(4-methylphenyl)ethenyl]anthracene-9,10-dione
CID 15152091
4-[2-(2-hydroxyphenyl)ethenyl]benzene-1,2-diol
CID 54133293
2-[(E)-2-(3,4-difluorophenyl)ethenyl]phenol
CID 11287698
2,3-dihydroxyanthracene-9,10-dione
CID 11031986
2-(4-hydroxybut-1-enyl)fluoren-9-one
CID 170477537
2-[2-(2,4-dinitrophenyl)ethenyl]anthracene-9,10-dione
CID 2749492
2-(4-aminobut-1-enyl)fluoren-9-one
CID 170487895
2-(4-sulfanylbut-1-enyl)fluoren-9-one
CID 170479323
2-hydroxyanthracene-9,10-dione
CID 11796
2-[2-(5-phenylfuran-2-yl)ethenyl]anthracene-9,10-dione
CID 3292612

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyphenyl)ethenyl]anthracene-9,10-dione?
The IUPAC name of 2-[2-(2-hydroxyphenyl)ethenyl]anthracene-9,10-dione (CID 175395708) is 2-[2-(2-hydroxyphenyl)ethenyl]anthracene-9,10-dione.
What is the SMILES notation for 2-[2-(2-hydroxyphenyl)ethenyl]anthracene-9,10-dione?
The canonical SMILES for 2-[2-(2-hydroxyphenyl)ethenyl]anthracene-9,10-dione is O=C1c2ccccc2C(=O)c2cc(C=Cc3ccccc3O)ccc21.
What is the InChIKey of 2-[2-(2-hydroxyphenyl)ethenyl]anthracene-9,10-dione?
The InChIKey is DQMJXTNZDZNCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14O3/c23-20-8-4-1-5-15(20)11-9-14-10-12-18-19(13-14)22(25)17-7-3-2-6-16(17)21(18)24/h1-13,23H.
What are the key properties of 2-[2-(2-hydroxyphenyl)ethenyl]anthracene-9,10-dione?
2-[2-(2-hydroxyphenyl)ethenyl]anthracene-9,10-dione has a molecular weight of 326.35 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyphenyl)ethenyl]anthracene-9,10-dione is sourced from PubChem (CID 175395708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).