5-(2-ethoxyethyl)-1,2,3,4-tetrafluoro-8-hydroxyanthracene-9,10-dione

C18H12F4O4 — CID 139704040

IUPAC5-(2-ethoxyethyl)-1,2,3,4-tetrafluoro-8-hydroxyanthracene-9,10-dione
SMILESCCOCCc1ccc(O)c2c1C(=O)c1c(F)c(F)c(F)c(F)c1C2=O
InChIInChI=1S/C18H12F4O4/c1-2-26-6-5-7-3-4-8(23)10-9(7)17(24)11-12(18(10)25)14(20)16(22)15(21)13(11)19/h3-4,23H,2,5-6H2,1H3
InChIKeyFOROEDXULFGSAP-UHFFFAOYSA-N
MW368.28 g/mol
LogP3.30
Rot. Bonds4

About 5-(2-ethoxyethyl)-1,2,3,4-tetrafluoro-8-hydroxyanthracene-9,10-dione

5-(2-ethoxyethyl)-1,2,3,4-tetrafluoro-8-hydroxyanthracene-9,10-dione (PubChem CID 139704040) has the molecular formula C18H12F4O4 and a molecular weight of 368.28 g/mol. Its IUPAC name is 5-(2-ethoxyethyl)-1,2,3,4-tetrafluoro-8-hydroxyanthracene-9,10-dione.

Molecular Properties

Compound Name5-(2-ethoxyethyl)-1,2,3,4-tetrafluoro-8-hydroxyanthracene-9,10-dione
PubChem CID139704040
Molecular FormulaC18H12F4O4
Molecular Weight368.28 g/mol
Exact Mass368.07
IUPAC Name5-(2-ethoxyethyl)-1,2,3,4-tetrafluoro-8-hydroxyanthracene-9,10-dione
SMILESCCOCCc1ccc(O)c2c1C(=O)c1c(F)c(F)c(F)c(F)c1C2=O
InChIInChI=1S/C18H12F4O4/c1-2-26-6-5-7-3-4-8(23)10-9(7)17(24)11-12(18(10)25)14(20)16(22)15(21)13(11)19/h3-4,23H,2,5-6H2,1H3
InChIKeyFOROEDXULFGSAP-UHFFFAOYSA-N
XLogP3.30
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.28
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-hydroxy-5,8-bis[2-(2-hydroxyethylamino)ethylamino]-4-(2-propoxyethyl)anthracene-9,10-dione
CID 139659299
5-tert-butyl-1,2,3,4-tetrafluoro-8-hydroxyanthracene-9,10-dione
CID 150773973
1-(2-ethoxyethyl)-2,3-difluorobenzene
CID 57195328
CID 175981713
CID 175981713
1,4-difluoro-5,8-dihydroxy-2,3-bis(octylsulfanyl)anthracene-9,10-dione
CID 18970720
4-(2-ethoxyethyl)-2-methylphenol
CID 139712535
2,3-difluoro-4-propylphenol
CID 14495704
1,4-dihydroxy-5,8-dimethoxyanthracene-9,10-dione
CID 21437455
3-(2-ethoxyethyl)-4,6-difluoro-7-methoxydibenzofuran
CID 163495590
ethyl 2-deuterio-3-(2-ethyl-3-fluoro-4-hydroxyphenyl)propanoate
CID 141271178
2-butoxy-3-(2-chloro-6-methylanilino)-1,4-difluoro-5,8-dihydroxyanthracene-9,10-dione
CID 18970561
[3-[2-(2-ethoxyethoxy)ethyl]-2-phenylphenyl] hydrogen carbonate
CID 90300696

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxyethyl)-1,2,3,4-tetrafluoro-8-hydroxyanthracene-9,10-dione?
The IUPAC name of 5-(2-ethoxyethyl)-1,2,3,4-tetrafluoro-8-hydroxyanthracene-9,10-dione (CID 139704040) is 5-(2-ethoxyethyl)-1,2,3,4-tetrafluoro-8-hydroxyanthracene-9,10-dione.
What is the SMILES notation for 5-(2-ethoxyethyl)-1,2,3,4-tetrafluoro-8-hydroxyanthracene-9,10-dione?
The canonical SMILES for 5-(2-ethoxyethyl)-1,2,3,4-tetrafluoro-8-hydroxyanthracene-9,10-dione is CCOCCc1ccc(O)c2c1C(=O)c1c(F)c(F)c(F)c(F)c1C2=O.
What is the InChIKey of 5-(2-ethoxyethyl)-1,2,3,4-tetrafluoro-8-hydroxyanthracene-9,10-dione?
The InChIKey is FOROEDXULFGSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F4O4/c1-2-26-6-5-7-3-4-8(23)10-9(7)17(24)11-12(18(10)25)14(20)16(22)15(21)13(11)19/h3-4,23H,2,5-6H2,1H3.
What are the key properties of 5-(2-ethoxyethyl)-1,2,3,4-tetrafluoro-8-hydroxyanthracene-9,10-dione?
5-(2-ethoxyethyl)-1,2,3,4-tetrafluoro-8-hydroxyanthracene-9,10-dione has a molecular weight of 368.28 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxyethyl)-1,2,3,4-tetrafluoro-8-hydroxyanthracene-9,10-dione is sourced from PubChem (CID 139704040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).