3-(3,4-dimethoxyphenyl)-2-hydroxy-6,8-dimethoxy-4,4-dimethylnaphthalen-1-one

C22H24O6 — CID 14484539

IUPAC3-(3,4-dimethoxyphenyl)-2-hydroxy-6,8-dimethoxy-4,4-dimethylnaphthalen-1-one
SMILESCOc1cc(OC)c2c(c1)C(C)(C)C(c1ccc(OC)c(OC)c1)=C(O)C2=O
InChIInChI=1S/C22H24O6/c1-22(2)14-10-13(25-3)11-17(28-6)18(14)20(23)21(24)19(22)12-7-8-15(26-4)16(9-12)27-5/h7-11,24H,1-6H3
InChIKeyKZXUDGQSAILXSN-UHFFFAOYSA-N
MW384.43 g/mol
LogP4.16
Rot. Bonds5

About 3-(3,4-dimethoxyphenyl)-2-hydroxy-6,8-dimethoxy-4,4-dimethylnaphthalen-1-one

3-(3,4-dimethoxyphenyl)-2-hydroxy-6,8-dimethoxy-4,4-dimethylnaphthalen-1-one (PubChem CID 14484539) has the molecular formula C22H24O6 and a molecular weight of 384.43 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-2-hydroxy-6,8-dimethoxy-4,4-dimethylnaphthalen-1-one.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-2-hydroxy-6,8-dimethoxy-4,4-dimethylnaphthalen-1-one
PubChem CID14484539
Molecular FormulaC22H24O6
Molecular Weight384.43 g/mol
Exact Mass384.16
IUPAC Name3-(3,4-dimethoxyphenyl)-2-hydroxy-6,8-dimethoxy-4,4-dimethylnaphthalen-1-one
SMILESCOc1cc(OC)c2c(c1)C(C)(C)C(c1ccc(OC)c(OC)c1)=C(O)C2=O
InChIInChI=1S/C22H24O6/c1-22(2)14-10-13(25-3)11-17(28-6)18(14)20(23)21(24)19(22)12-7-8-15(26-4)16(9-12)27-5/h7-11,24H,1-6H3
InChIKeyKZXUDGQSAILXSN-UHFFFAOYSA-N
XLogP4.16
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-2-hydroxy-6,8-dimethoxy-4,4-dimethylnaphthalen-1-one?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-2-hydroxy-6,8-dimethoxy-4,4-dimethylnaphthalen-1-one (CID 14484539) is 3-(3,4-dimethoxyphenyl)-2-hydroxy-6,8-dimethoxy-4,4-dimethylnaphthalen-1-one.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-2-hydroxy-6,8-dimethoxy-4,4-dimethylnaphthalen-1-one?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-2-hydroxy-6,8-dimethoxy-4,4-dimethylnaphthalen-1-one is COc1cc(OC)c2c(c1)C(C)(C)C(c1ccc(OC)c(OC)c1)=C(O)C2=O.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-2-hydroxy-6,8-dimethoxy-4,4-dimethylnaphthalen-1-one?
The InChIKey is KZXUDGQSAILXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24O6/c1-22(2)14-10-13(25-3)11-17(28-6)18(14)20(23)21(24)19(22)12-7-8-15(26-4)16(9-12)27-5/h7-11,24H,1-6H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-2-hydroxy-6,8-dimethoxy-4,4-dimethylnaphthalen-1-one?
3-(3,4-dimethoxyphenyl)-2-hydroxy-6,8-dimethoxy-4,4-dimethylnaphthalen-1-one has a molecular weight of 384.43 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-2-hydroxy-6,8-dimethoxy-4,4-dimethylnaphthalen-1-one is sourced from PubChem (CID 14484539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).