7,8-dimethoxy-2-methyl-2,3-dihydrocyclopenta[a]naphthalen-1-one

C16H16O3 — CID 12571694

IUPAC7,8-dimethoxy-2-methyl-2,3-dihydrocyclopenta[a]naphthalen-1-one
SMILESCOc1cc2ccc3c(c2cc1OC)C(=O)C(C)C3
InChIInChI=1S/C16H16O3/c1-9-6-11-5-4-10-7-13(18-2)14(19-3)8-12(10)15(11)16(9)17/h4-5,7-9H,6H2,1-3H3
InChIKeyXXRNNWHFXFZNOZ-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.23
Rot. Bonds2

About 7,8-dimethoxy-2-methyl-2,3-dihydrocyclopenta[a]naphthalen-1-one

7,8-dimethoxy-2-methyl-2,3-dihydrocyclopenta[a]naphthalen-1-one (PubChem CID 12571694) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 7,8-dimethoxy-2-methyl-2,3-dihydrocyclopenta[a]naphthalen-1-one.

Molecular Properties

Compound Name7,8-dimethoxy-2-methyl-2,3-dihydrocyclopenta[a]naphthalen-1-one
PubChem CID12571694
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name7,8-dimethoxy-2-methyl-2,3-dihydrocyclopenta[a]naphthalen-1-one
SMILESCOc1cc2ccc3c(c2cc1OC)C(=O)C(C)C3
InChIInChI=1S/C16H16O3/c1-9-6-11-5-4-10-7-13(18-2)14(19-3)8-12(10)15(11)16(9)17/h4-5,7-9H,6H2,1-3H3
InChIKeyXXRNNWHFXFZNOZ-UHFFFAOYSA-N
XLogP3.23
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,8-dimethoxy-2-methyl-2,3-dihydrocyclopenta[a]naphthalen-1-one?
The IUPAC name of 7,8-dimethoxy-2-methyl-2,3-dihydrocyclopenta[a]naphthalen-1-one (CID 12571694) is 7,8-dimethoxy-2-methyl-2,3-dihydrocyclopenta[a]naphthalen-1-one.
What is the SMILES notation for 7,8-dimethoxy-2-methyl-2,3-dihydrocyclopenta[a]naphthalen-1-one?
The canonical SMILES for 7,8-dimethoxy-2-methyl-2,3-dihydrocyclopenta[a]naphthalen-1-one is COc1cc2ccc3c(c2cc1OC)C(=O)C(C)C3.
What is the InChIKey of 7,8-dimethoxy-2-methyl-2,3-dihydrocyclopenta[a]naphthalen-1-one?
The InChIKey is XXRNNWHFXFZNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-9-6-11-5-4-10-7-13(18-2)14(19-3)8-12(10)15(11)16(9)17/h4-5,7-9H,6H2,1-3H3.
What are the key properties of 7,8-dimethoxy-2-methyl-2,3-dihydrocyclopenta[a]naphthalen-1-one?
7,8-dimethoxy-2-methyl-2,3-dihydrocyclopenta[a]naphthalen-1-one has a molecular weight of 256.30 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethoxy-2-methyl-2,3-dihydrocyclopenta[a]naphthalen-1-one is sourced from PubChem (CID 12571694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).