1,2,3,4-tetrahydroanthracene-9,10-dione

C28H24O4 — CID 174898123

IUPAC1,2,3,4-tetrahydroanthracene-9,10-dione
SMILESO=C1C2=C(CCCC2)C(=O)c2ccccc21.O=C1C2=C(CCCC2)C(=O)c2ccccc21
InChIInChI=1S/2C14H12O2/c2*15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h2*1-2,5-6H,3-4,7-8H2
InChIKeyUDBRBPLDWCVSPX-UHFFFAOYSA-N
MW424.50 g/mol
LogP5.87
Rot. Bonds

About 1,2,3,4-tetrahydroanthracene-9,10-dione

1,2,3,4-tetrahydroanthracene-9,10-dione (PubChem CID 174898123) has the molecular formula C28H24O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is 1,2,3,4-tetrahydroanthracene-9,10-dione.

Molecular Properties

Compound Name1,2,3,4-tetrahydroanthracene-9,10-dione
PubChem CID174898123
Molecular FormulaC28H24O4
Molecular Weight424.50 g/mol
Exact Mass424.17
IUPAC Name1,2,3,4-tetrahydroanthracene-9,10-dione
SMILESO=C1C2=C(CCCC2)C(=O)c2ccccc21.O=C1C2=C(CCCC2)C(=O)c2ccccc21
InChIInChI=1S/2C14H12O2/c2*15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h2*1-2,5-6H,3-4,7-8H2
InChIKeyUDBRBPLDWCVSPX-UHFFFAOYSA-N
XLogP5.87
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.50
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

anthracene;1,2,3,4-tetrahydroanthracene-9,10-dione
CID 174264154
2,2-dimethoxypropane;1,2,3,4-tetrahydrofluoren-9-one
CID 67640352
8-methylidene-6,7,9,10-tetrahydrocyclohepta[b]naphthalene-5,11-dione
CID 178049561
4-amino-1-(4-amino-9,10-dioxoanthracen-1-yl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]naphthalene-5,11-dione
CID 163979453
3,4-dihydro-1H-benzo[g]isothiochromene-5,10-dione
CID 56615317
lithium;anthracene-9,10-dione;hydride
CID 174683199
CID 66807709
CID 66807709
anthracene-9,10-dione;hydrofluoride
CID 172728823
CID 67824005
CID 67824005
phenanthrene-9,10-dione
CID 6763
16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),9,11,13(17)-pentaen-8-one
CID 5242334
anthracene-9,10-dione;platinum(2+);dichloride
CID 174702138

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydroanthracene-9,10-dione?
The IUPAC name of 1,2,3,4-tetrahydroanthracene-9,10-dione (CID 174898123) is 1,2,3,4-tetrahydroanthracene-9,10-dione.
What is the SMILES notation for 1,2,3,4-tetrahydroanthracene-9,10-dione?
The canonical SMILES for 1,2,3,4-tetrahydroanthracene-9,10-dione is O=C1C2=C(CCCC2)C(=O)c2ccccc21.O=C1C2=C(CCCC2)C(=O)c2ccccc21.
What is the InChIKey of 1,2,3,4-tetrahydroanthracene-9,10-dione?
The InChIKey is UDBRBPLDWCVSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H12O2/c2*15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h2*1-2,5-6H,3-4,7-8H2.
What are the key properties of 1,2,3,4-tetrahydroanthracene-9,10-dione?
1,2,3,4-tetrahydroanthracene-9,10-dione has a molecular weight of 424.50 g/mol, XLogP of 5.87, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydroanthracene-9,10-dione is sourced from PubChem (CID 174898123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).