1-(11-methyl-11-naphthalen-1-yl-10-oxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-8-yl)ethanone

C24H22O2 — CID 101276131

IUPAC1-(11-methyl-11-naphthalen-1-yl-10-oxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-8-yl)ethanone
SMILESCC(=O)C1c2ccccc2C2CC1OC2(C)c1cccc2ccccc12
InChIInChI=1S/C24H22O2/c1-15(25)23-19-12-6-5-11-18(19)21-14-22(23)26-24(21,2)20-13-7-9-16-8-3-4-10-17(16)20/h3-13,21-23H,14H2,1-2H3
InChIKeyUTIXLSTWGHZXGU-UHFFFAOYSA-N
MW342.44 g/mol
LogP5.31
Rot. Bonds2

About 1-(11-methyl-11-naphthalen-1-yl-10-oxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-8-yl)ethanone

1-(11-methyl-11-naphthalen-1-yl-10-oxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-8-yl)ethanone (PubChem CID 101276131) has the molecular formula C24H22O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-(11-methyl-11-naphthalen-1-yl-10-oxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-8-yl)ethanone.

Molecular Properties

Compound Name1-(11-methyl-11-naphthalen-1-yl-10-oxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-8-yl)ethanone
PubChem CID101276131
Molecular FormulaC24H22O2
Molecular Weight342.44 g/mol
Exact Mass342.16
IUPAC Name1-(11-methyl-11-naphthalen-1-yl-10-oxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-8-yl)ethanone
SMILESCC(=O)C1c2ccccc2C2CC1OC2(C)c1cccc2ccccc12
InChIInChI=1S/C24H22O2/c1-15(25)23-19-12-6-5-11-18(19)21-14-22(23)26-24(21,2)20-13-7-9-16-8-3-4-10-17(16)20/h3-13,21-23H,14H2,1-2H3
InChIKeyUTIXLSTWGHZXGU-UHFFFAOYSA-N
XLogP5.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.44
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(11-methyl-11-naphthalen-1-yl-10-oxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-8-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(11-methyl-11-naphthalen-1-yl-10-oxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-8-yl)ethanone?
The IUPAC name of 1-(11-methyl-11-naphthalen-1-yl-10-oxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-8-yl)ethanone (CID 101276131) is 1-(11-methyl-11-naphthalen-1-yl-10-oxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-8-yl)ethanone.
What is the SMILES notation for 1-(11-methyl-11-naphthalen-1-yl-10-oxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-8-yl)ethanone?
The canonical SMILES for 1-(11-methyl-11-naphthalen-1-yl-10-oxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-8-yl)ethanone is CC(=O)C1c2ccccc2C2CC1OC2(C)c1cccc2ccccc12.
What is the InChIKey of 1-(11-methyl-11-naphthalen-1-yl-10-oxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-8-yl)ethanone?
The InChIKey is UTIXLSTWGHZXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O2/c1-15(25)23-19-12-6-5-11-18(19)21-14-22(23)26-24(21,2)20-13-7-9-16-8-3-4-10-17(16)20/h3-13,21-23H,14H2,1-2H3.
What are the key properties of 1-(11-methyl-11-naphthalen-1-yl-10-oxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-8-yl)ethanone?
1-(11-methyl-11-naphthalen-1-yl-10-oxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-8-yl)ethanone has a molecular weight of 342.44 g/mol, XLogP of 5.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(11-methyl-11-naphthalen-1-yl-10-oxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-8-yl)ethanone is sourced from PubChem (CID 101276131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).