8-ethyl-6,11-bis(hydroxymethoxy)tetracene-5,12-dione

C22H18O6 — CID 71388407

IUPAC8-ethyl-6,11-bis(hydroxymethoxy)tetracene-5,12-dione
SMILESCCc1ccc2c(OCO)c3c(c(OCO)c2c1)C(=O)c1ccccc1C3=O
InChIInChI=1S/C22H18O6/c1-2-12-7-8-15-16(9-12)22(28-11-24)18-17(21(15)27-10-23)19(25)13-5-3-4-6-14(13)20(18)26/h3-9,23-24H,2,10-11H2,1H3
InChIKeyPQWLHYAPXDBYDZ-UHFFFAOYSA-N
MW378.38 g/mol
LogP2.83
Rot. Bonds5

About 8-ethyl-6,11-bis(hydroxymethoxy)tetracene-5,12-dione

8-ethyl-6,11-bis(hydroxymethoxy)tetracene-5,12-dione (PubChem CID 71388407) has the molecular formula C22H18O6 and a molecular weight of 378.38 g/mol. Its IUPAC name is 8-ethyl-6,11-bis(hydroxymethoxy)tetracene-5,12-dione.

Molecular Properties

Compound Name8-ethyl-6,11-bis(hydroxymethoxy)tetracene-5,12-dione
PubChem CID71388407
Molecular FormulaC22H18O6
Molecular Weight378.38 g/mol
Exact Mass378.11
IUPAC Name8-ethyl-6,11-bis(hydroxymethoxy)tetracene-5,12-dione
SMILESCCc1ccc2c(OCO)c3c(c(OCO)c2c1)C(=O)c1ccccc1C3=O
InChIInChI=1S/C22H18O6/c1-2-12-7-8-15-16(9-12)22(28-11-24)18-17(21(15)27-10-23)19(25)13-5-3-4-6-14(13)20(18)26/h3-9,23-24H,2,10-11H2,1H3
InChIKeyPQWLHYAPXDBYDZ-UHFFFAOYSA-N
XLogP2.83
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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CID 11344805
2-ethyl-9,10-bis[(4-ethylphenyl)methoxy]anthracene
CID 158794171
2-ethyl-9,10-bis[(2-methylpropan-2-yl)oxy]anthracene
CID 139929966
1,3-diethylanthracene-9,10-dione
CID 22321054
2-ethyl-9,10-diphenoxyanthracene
CID 139904651
2-ethyl-9,10-di(nonoxy)anthracene
CID 139930282
2-ethylanthracene-9,10-dione;1,2,3,4,5,6,7,8-octamethylanthracene-9,10-dione
CID 69114392
2-ethyl-9,10-bis(ethylsulfanylmethoxy)anthracene
CID 139902073
2-[4-[3-ethyl-10-[4-(2-hydroxyethylsulfanyl)butoxy]anthracen-9-yl]oxybutylsulfanyl]ethanol
CID 139902109
2-ethyl-9,10-bis(propylsulfanylmethoxy)anthracene
CID 139902124
2,6-diethylanthracene-9,10-dione
CID 130464580
3-ethyl-8-hydroxy-6-methoxybenzo[a]anthracene-7,12-dione
CID 102245119

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-6,11-bis(hydroxymethoxy)tetracene-5,12-dione?
The IUPAC name of 8-ethyl-6,11-bis(hydroxymethoxy)tetracene-5,12-dione (CID 71388407) is 8-ethyl-6,11-bis(hydroxymethoxy)tetracene-5,12-dione.
What is the SMILES notation for 8-ethyl-6,11-bis(hydroxymethoxy)tetracene-5,12-dione?
The canonical SMILES for 8-ethyl-6,11-bis(hydroxymethoxy)tetracene-5,12-dione is CCc1ccc2c(OCO)c3c(c(OCO)c2c1)C(=O)c1ccccc1C3=O.
What is the InChIKey of 8-ethyl-6,11-bis(hydroxymethoxy)tetracene-5,12-dione?
The InChIKey is PQWLHYAPXDBYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O6/c1-2-12-7-8-15-16(9-12)22(28-11-24)18-17(21(15)27-10-23)19(25)13-5-3-4-6-14(13)20(18)26/h3-9,23-24H,2,10-11H2,1H3.
What are the key properties of 8-ethyl-6,11-bis(hydroxymethoxy)tetracene-5,12-dione?
8-ethyl-6,11-bis(hydroxymethoxy)tetracene-5,12-dione has a molecular weight of 378.38 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-6,11-bis(hydroxymethoxy)tetracene-5,12-dione is sourced from PubChem (CID 71388407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).