2-[(Z)-2-(4-methylphenyl)ethenyl]anthracene-9,10-dione

C23H16O2 — CID 15152091

IUPAC2-[(Z)-2-(4-methylphenyl)ethenyl]anthracene-9,10-dione
SMILESCc1ccc(/C=C\c2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1
InChIInChI=1S/C23H16O2/c1-15-6-8-16(9-7-15)10-11-17-12-13-20-21(14-17)23(25)19-5-3-2-4-18(19)22(20)24/h2-14H,1H3/b11-10-
InChIKeyLWOCTTIAWWZDDI-KHPPLWFESA-N
MW324.38 g/mol
LogP4.94
Rot. Bonds2

About 2-[(Z)-2-(4-methylphenyl)ethenyl]anthracene-9,10-dione

2-[(Z)-2-(4-methylphenyl)ethenyl]anthracene-9,10-dione (PubChem CID 15152091) has the molecular formula C23H16O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-[(Z)-2-(4-methylphenyl)ethenyl]anthracene-9,10-dione.

Molecular Properties

Compound Name2-[(Z)-2-(4-methylphenyl)ethenyl]anthracene-9,10-dione
PubChem CID15152091
Molecular FormulaC23H16O2
Molecular Weight324.38 g/mol
Exact Mass324.12
IUPAC Name2-[(Z)-2-(4-methylphenyl)ethenyl]anthracene-9,10-dione
SMILESCc1ccc(/C=C\c2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1
InChIInChI=1S/C23H16O2/c1-15-6-8-16(9-7-15)10-11-17-12-13-20-21(14-17)23(25)19-5-3-2-4-18(19)22(20)24/h2-14H,1H3/b11-10-
InChIKeyLWOCTTIAWWZDDI-KHPPLWFESA-N
XLogP4.94
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[2-(4-aminophenyl)ethenyl]anthracene-9,10-dione
CID 175395757
2-[2-(2-hydroxyphenyl)ethenyl]anthracene-9,10-dione
CID 175395708
fluoren-9-one;4-methylbenzaldehyde
CID 19356892
2,7-bis[(E)-2-pyridin-4-ylethenyl]fluoren-9-one
CID 15888532
2-[(E)-2-(2-nitrophenyl)ethenyl]anthracene-9,10-dione
CID 175395824
2-(4-sulfanylbut-1-enyl)fluoren-9-one
CID 170479323
2-(4-aminobut-1-enyl)fluoren-9-one
CID 170487895
2-(4-hydroxybut-1-enyl)fluoren-9-one
CID 170477537
methane;1-methyl-4-[(E)-2-phenylethenyl]benzene
CID 144677664
2-[2-(5-phenylfuran-2-yl)ethenyl]anthracene-9,10-dione
CID 3292612
1,4-bis[2-(3-methylphenyl)ethenyl]benzene;1,4-bis[2-(4-methylphenyl)ethenyl]benzene
CID 158666268
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 90770914

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-(4-methylphenyl)ethenyl]anthracene-9,10-dione?
The IUPAC name of 2-[(Z)-2-(4-methylphenyl)ethenyl]anthracene-9,10-dione (CID 15152091) is 2-[(Z)-2-(4-methylphenyl)ethenyl]anthracene-9,10-dione.
What is the SMILES notation for 2-[(Z)-2-(4-methylphenyl)ethenyl]anthracene-9,10-dione?
The canonical SMILES for 2-[(Z)-2-(4-methylphenyl)ethenyl]anthracene-9,10-dione is Cc1ccc(/C=C\c2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1.
What is the InChIKey of 2-[(Z)-2-(4-methylphenyl)ethenyl]anthracene-9,10-dione?
The InChIKey is LWOCTTIAWWZDDI-KHPPLWFESA-N. The full InChI is InChI=1S/C23H16O2/c1-15-6-8-16(9-7-15)10-11-17-12-13-20-21(14-17)23(25)19-5-3-2-4-18(19)22(20)24/h2-14H,1H3/b11-10-.
What are the key properties of 2-[(Z)-2-(4-methylphenyl)ethenyl]anthracene-9,10-dione?
2-[(Z)-2-(4-methylphenyl)ethenyl]anthracene-9,10-dione has a molecular weight of 324.38 g/mol, XLogP of 4.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-(4-methylphenyl)ethenyl]anthracene-9,10-dione is sourced from PubChem (CID 15152091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).