(2E)-8-hydroxy-2-(8-hydroxy-4-methoxy-6-methyl-1-oxonaphthalen-2-ylidene)-4-methoxy-6-methylnaphthalen-1-one

C24H20O6 — CID 15082476

IUPAC(2E)-8-hydroxy-2-(8-hydroxy-4-methoxy-6-methyl-1-oxonaphthalen-2-ylidene)-4-methoxy-6-methylnaphthalen-1-one
SMILESCOC1=C/C(=C2/C=C(OC)c3cc(C)cc(O)c3C2=O)C(=O)c2c(O)cc(C)cc21
InChIInChI=1S/C24H20O6/c1-11-5-15-19(29-3)9-13(23(27)21(15)17(25)7-11)14-10-20(30-4)16-6-12(2)8-18(26)22(16)24(14)28/h5-10,25-26H,1-4H3/b14-13+
InChIKeyWIZRPQYWANTMOT-BUHFOSPRSA-N
MW404.42 g/mol
LogP4.08
Rot. Bonds2

About (2E)-8-hydroxy-2-(8-hydroxy-4-methoxy-6-methyl-1-oxonaphthalen-2-ylidene)-4-methoxy-6-methylnaphthalen-1-one

(2E)-8-hydroxy-2-(8-hydroxy-4-methoxy-6-methyl-1-oxonaphthalen-2-ylidene)-4-methoxy-6-methylnaphthalen-1-one (PubChem CID 15082476) has the molecular formula C24H20O6 and a molecular weight of 404.42 g/mol. Its IUPAC name is (2E)-8-hydroxy-2-(8-hydroxy-4-methoxy-6-methyl-1-oxonaphthalen-2-ylidene)-4-methoxy-6-methylnaphthalen-1-one.

Molecular Properties

Compound Name(2E)-8-hydroxy-2-(8-hydroxy-4-methoxy-6-methyl-1-oxonaphthalen-2-ylidene)-4-methoxy-6-methylnaphthalen-1-one
PubChem CID15082476
Molecular FormulaC24H20O6
Molecular Weight404.42 g/mol
Exact Mass404.13
IUPAC Name(2E)-8-hydroxy-2-(8-hydroxy-4-methoxy-6-methyl-1-oxonaphthalen-2-ylidene)-4-methoxy-6-methylnaphthalen-1-one
SMILESCOC1=C/C(=C2/C=C(OC)c3cc(C)cc(O)c3C2=O)C(=O)c2c(O)cc(C)cc21
InChIInChI=1S/C24H20O6/c1-11-5-15-19(29-3)9-13(23(27)21(15)17(25)7-11)14-10-20(30-4)16-6-12(2)8-18(26)22(16)24(14)28/h5-10,25-26H,1-4H3/b14-13+
InChIKeyWIZRPQYWANTMOT-BUHFOSPRSA-N
XLogP4.08
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-8-hydroxy-2-(8-hydroxy-4-methoxy-6-methyl-1-oxonaphthalen-2-ylidene)-4-methoxy-6-methylnaphthalen-1-one?
The IUPAC name of (2E)-8-hydroxy-2-(8-hydroxy-4-methoxy-6-methyl-1-oxonaphthalen-2-ylidene)-4-methoxy-6-methylnaphthalen-1-one (CID 15082476) is (2E)-8-hydroxy-2-(8-hydroxy-4-methoxy-6-methyl-1-oxonaphthalen-2-ylidene)-4-methoxy-6-methylnaphthalen-1-one.
What is the SMILES notation for (2E)-8-hydroxy-2-(8-hydroxy-4-methoxy-6-methyl-1-oxonaphthalen-2-ylidene)-4-methoxy-6-methylnaphthalen-1-one?
The canonical SMILES for (2E)-8-hydroxy-2-(8-hydroxy-4-methoxy-6-methyl-1-oxonaphthalen-2-ylidene)-4-methoxy-6-methylnaphthalen-1-one is COC1=C/C(=C2/C=C(OC)c3cc(C)cc(O)c3C2=O)C(=O)c2c(O)cc(C)cc21.
What is the InChIKey of (2E)-8-hydroxy-2-(8-hydroxy-4-methoxy-6-methyl-1-oxonaphthalen-2-ylidene)-4-methoxy-6-methylnaphthalen-1-one?
The InChIKey is WIZRPQYWANTMOT-BUHFOSPRSA-N. The full InChI is InChI=1S/C24H20O6/c1-11-5-15-19(29-3)9-13(23(27)21(15)17(25)7-11)14-10-20(30-4)16-6-12(2)8-18(26)22(16)24(14)28/h5-10,25-26H,1-4H3/b14-13+.
What are the key properties of (2E)-8-hydroxy-2-(8-hydroxy-4-methoxy-6-methyl-1-oxonaphthalen-2-ylidene)-4-methoxy-6-methylnaphthalen-1-one?
(2E)-8-hydroxy-2-(8-hydroxy-4-methoxy-6-methyl-1-oxonaphthalen-2-ylidene)-4-methoxy-6-methylnaphthalen-1-one has a molecular weight of 404.42 g/mol, XLogP of 4.08, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-8-hydroxy-2-(8-hydroxy-4-methoxy-6-methyl-1-oxonaphthalen-2-ylidene)-4-methoxy-6-methylnaphthalen-1-one is sourced from PubChem (CID 15082476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).