5,6-bis(4-hydroxyphenyl)acenaphthylene-1,2-dione

C24H14O4 — CID 174915841

IUPAC5,6-bis(4-hydroxyphenyl)acenaphthylene-1,2-dione
SMILESO=C1C(=O)c2ccc(-c3ccc(O)cc3)c3c(-c4ccc(O)cc4)ccc1c23
InChIInChI=1S/C24H14O4/c25-15-5-1-13(2-6-15)17-9-11-19-22-20(24(28)23(19)27)12-10-18(21(17)22)14-3-7-16(26)8-4-14/h1-12,25-26H
InChIKeyIWDNKUVEBOHURP-UHFFFAOYSA-N
MW366.37 g/mol
LogP4.96
Rot. Bonds2

About 5,6-bis(4-hydroxyphenyl)acenaphthylene-1,2-dione

5,6-bis(4-hydroxyphenyl)acenaphthylene-1,2-dione (PubChem CID 174915841) has the molecular formula C24H14O4 and a molecular weight of 366.37 g/mol. Its IUPAC name is 5,6-bis(4-hydroxyphenyl)acenaphthylene-1,2-dione.

Molecular Properties

Compound Name5,6-bis(4-hydroxyphenyl)acenaphthylene-1,2-dione
PubChem CID174915841
Molecular FormulaC24H14O4
Molecular Weight366.37 g/mol
Exact Mass366.09
IUPAC Name5,6-bis(4-hydroxyphenyl)acenaphthylene-1,2-dione
SMILESO=C1C(=O)c2ccc(-c3ccc(O)cc3)c3c(-c4ccc(O)cc4)ccc1c23
InChIInChI=1S/C24H14O4/c25-15-5-1-13(2-6-15)17-9-11-19-22-20(24(28)23(19)27)12-10-18(21(17)22)14-3-7-16(26)8-4-14/h1-12,25-26H
InChIKeyIWDNKUVEBOHURP-UHFFFAOYSA-N
XLogP4.96
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-6-(4-hydroxyphenyl)benzene-1,2-disulfonic acid
CID 20976839
4-[4-(4-hydroxyphenyl)phenyl]phenol
CID 14496018
2,6-bis(4-hydroxyphenyl)benzenesulfonate
CID 176583554
4-(4-hydroxyphenyl)-2-methoxyphenalen-1-one
CID 86190531
6,13-bis(4-hydroxyphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 1102901
anthracene-9,10-dione;benzene-1,4-diol
CID 70474233
4-[4-bromo-2-(4-hydroxyphenyl)phenyl]phenol
CID 159686938
dihydroxy(oxo)phosphanium;4-[2-(4-hydroxyphenyl)phenyl]phenol
CID 160747742
5-hydroxy-2-(4-hydroxyphenyl)-3-phenylinden-1-one
CID 10125667
2-[3,5-bis(4-hydroxyphenyl)-1,2,4-triazol-4-yl]isoindole-1,3-dione
CID 136912084
4-(4-hydroxyphenyl)phenol;methanol
CID 159599615
4-(2,5-dibromophenyl)phenol
CID 86165332

Frequently Asked Questions

What is the IUPAC name of 5,6-bis(4-hydroxyphenyl)acenaphthylene-1,2-dione?
The IUPAC name of 5,6-bis(4-hydroxyphenyl)acenaphthylene-1,2-dione (CID 174915841) is 5,6-bis(4-hydroxyphenyl)acenaphthylene-1,2-dione.
What is the SMILES notation for 5,6-bis(4-hydroxyphenyl)acenaphthylene-1,2-dione?
The canonical SMILES for 5,6-bis(4-hydroxyphenyl)acenaphthylene-1,2-dione is O=C1C(=O)c2ccc(-c3ccc(O)cc3)c3c(-c4ccc(O)cc4)ccc1c23.
What is the InChIKey of 5,6-bis(4-hydroxyphenyl)acenaphthylene-1,2-dione?
The InChIKey is IWDNKUVEBOHURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14O4/c25-15-5-1-13(2-6-15)17-9-11-19-22-20(24(28)23(19)27)12-10-18(21(17)22)14-3-7-16(26)8-4-14/h1-12,25-26H.
What are the key properties of 5,6-bis(4-hydroxyphenyl)acenaphthylene-1,2-dione?
5,6-bis(4-hydroxyphenyl)acenaphthylene-1,2-dione has a molecular weight of 366.37 g/mol, XLogP of 4.96, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(4-hydroxyphenyl)acenaphthylene-1,2-dione is sourced from PubChem (CID 174915841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).