8-hydroxy-2-[1-(8-hydroxy-1,4-dioxonaphthalen-2-yl)ethyl]naphthalene-1,4-dione

C22H14O6 — CID 11132493

IUPAC8-hydroxy-2-[1-(8-hydroxy-1,4-dioxonaphthalen-2-yl)ethyl]naphthalene-1,4-dione
SMILESCC(C1=CC(=O)c2cccc(O)c2C1=O)C1=CC(=O)c2cccc(O)c2C1=O
InChIInChI=1S/C22H14O6/c1-10(13-8-17(25)11-4-2-6-15(23)19(11)21(13)27)14-9-18(26)12-5-3-7-16(24)20(12)22(14)28/h2-10,23-24H,1H3
InChIKeyYQZCCVLXLACOJI-UHFFFAOYSA-N
MW374.35 g/mol
LogP3.04
Rot. Bonds2

About 8-hydroxy-2-[1-(8-hydroxy-1,4-dioxonaphthalen-2-yl)ethyl]naphthalene-1,4-dione

8-hydroxy-2-[1-(8-hydroxy-1,4-dioxonaphthalen-2-yl)ethyl]naphthalene-1,4-dione (PubChem CID 11132493) has the molecular formula C22H14O6 and a molecular weight of 374.35 g/mol. Its IUPAC name is 8-hydroxy-2-[1-(8-hydroxy-1,4-dioxonaphthalen-2-yl)ethyl]naphthalene-1,4-dione.

Molecular Properties

Compound Name8-hydroxy-2-[1-(8-hydroxy-1,4-dioxonaphthalen-2-yl)ethyl]naphthalene-1,4-dione
PubChem CID11132493
Molecular FormulaC22H14O6
Molecular Weight374.35 g/mol
Exact Mass374.08
IUPAC Name8-hydroxy-2-[1-(8-hydroxy-1,4-dioxonaphthalen-2-yl)ethyl]naphthalene-1,4-dione
SMILESCC(C1=CC(=O)c2cccc(O)c2C1=O)C1=CC(=O)c2cccc(O)c2C1=O
InChIInChI=1S/C22H14O6/c1-10(13-8-17(25)11-4-2-6-15(23)19(11)21(13)27)14-9-18(26)12-5-3-7-16(24)20(12)22(14)28/h2-10,23-24H,1H3
InChIKeyYQZCCVLXLACOJI-UHFFFAOYSA-N
XLogP3.04
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.35
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-2-[1-(8-hydroxy-1,4-dioxonaphthalen-2-yl)ethyl]naphthalene-1,4-dione?
The IUPAC name of 8-hydroxy-2-[1-(8-hydroxy-1,4-dioxonaphthalen-2-yl)ethyl]naphthalene-1,4-dione (CID 11132493) is 8-hydroxy-2-[1-(8-hydroxy-1,4-dioxonaphthalen-2-yl)ethyl]naphthalene-1,4-dione.
What is the SMILES notation for 8-hydroxy-2-[1-(8-hydroxy-1,4-dioxonaphthalen-2-yl)ethyl]naphthalene-1,4-dione?
The canonical SMILES for 8-hydroxy-2-[1-(8-hydroxy-1,4-dioxonaphthalen-2-yl)ethyl]naphthalene-1,4-dione is CC(C1=CC(=O)c2cccc(O)c2C1=O)C1=CC(=O)c2cccc(O)c2C1=O.
What is the InChIKey of 8-hydroxy-2-[1-(8-hydroxy-1,4-dioxonaphthalen-2-yl)ethyl]naphthalene-1,4-dione?
The InChIKey is YQZCCVLXLACOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14O6/c1-10(13-8-17(25)11-4-2-6-15(23)19(11)21(13)27)14-9-18(26)12-5-3-7-16(24)20(12)22(14)28/h2-10,23-24H,1H3.
What are the key properties of 8-hydroxy-2-[1-(8-hydroxy-1,4-dioxonaphthalen-2-yl)ethyl]naphthalene-1,4-dione?
8-hydroxy-2-[1-(8-hydroxy-1,4-dioxonaphthalen-2-yl)ethyl]naphthalene-1,4-dione has a molecular weight of 374.35 g/mol, XLogP of 3.04, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-2-[1-(8-hydroxy-1,4-dioxonaphthalen-2-yl)ethyl]naphthalene-1,4-dione is sourced from PubChem (CID 11132493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).