7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-methoxy-4,6-dimethylphenyl)methanone

C18H18O2 — CID 106679968

IUPAC7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-methoxy-4,6-dimethylphenyl)methanone
SMILESCOc1cc(C)cc(C)c1C(=O)C1Cc2ccccc21
InChIInChI=1S/C18H18O2/c1-11-8-12(2)17(16(9-11)20-3)18(19)15-10-13-6-4-5-7-14(13)15/h4-9,15H,10H2,1-3H3
InChIKeyNOQUPEMORUIYRQ-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.83
Rot. Bonds3

About 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-methoxy-4,6-dimethylphenyl)methanone

7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-methoxy-4,6-dimethylphenyl)methanone (PubChem CID 106679968) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-methoxy-4,6-dimethylphenyl)methanone.

Molecular Properties

Compound Name7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-methoxy-4,6-dimethylphenyl)methanone
PubChem CID106679968
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-methoxy-4,6-dimethylphenyl)methanone
SMILESCOc1cc(C)cc(C)c1C(=O)C1Cc2ccccc21
InChIInChI=1S/C18H18O2/c1-11-8-12(2)17(16(9-11)20-3)18(19)15-10-13-6-4-5-7-14(13)15/h4-9,15H,10H2,1-3H3
InChIKeyNOQUPEMORUIYRQ-UHFFFAOYSA-N
XLogP3.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-methylnaphthalen-1-yl)methanone
CID 81429285
methyl (7S)-bicyclo[4.2.0]octa-1,3,5-triene-7-carboxylate
CID 124511173
4-(2-methoxy-4,6-dimethylbenzoyl)cyclohexan-1-one
CID 116920294
(4-amino-3-methylphenyl)-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanone
CID 66395210
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,5-dibromo-4-methylphenyl)methanone
CID 81468479
(4-aminocyclopent-2-en-1-yl)-(2-methoxy-4,6-dimethylphenyl)methanone
CID 106681762
(2-methoxy-4,6-dimethylphenyl)-piperidin-2-ylmethanone
CID 82498560
7-bicyclo[4.2.0]octa-1,3,5-trienyl(naphthalen-2-yl)methanone
CID 64982460
2,3-dimethoxy-9,10-dihydrophenanthrene-9-carboxylic acid
CID 70535600
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(3,4-dimethylphenyl)ethanone
CID 64986764
bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl iodide
CID 22956884
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,3-dichlorophenyl)methanone
CID 64982050

Frequently Asked Questions

What is the IUPAC name of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-methoxy-4,6-dimethylphenyl)methanone?
The IUPAC name of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-methoxy-4,6-dimethylphenyl)methanone (CID 106679968) is 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-methoxy-4,6-dimethylphenyl)methanone.
What is the SMILES notation for 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-methoxy-4,6-dimethylphenyl)methanone?
The canonical SMILES for 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-methoxy-4,6-dimethylphenyl)methanone is COc1cc(C)cc(C)c1C(=O)C1Cc2ccccc21.
What is the InChIKey of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-methoxy-4,6-dimethylphenyl)methanone?
The InChIKey is NOQUPEMORUIYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-11-8-12(2)17(16(9-11)20-3)18(19)15-10-13-6-4-5-7-14(13)15/h4-9,15H,10H2,1-3H3.
What are the key properties of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-methoxy-4,6-dimethylphenyl)methanone?
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-methoxy-4,6-dimethylphenyl)methanone has a molecular weight of 266.34 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-methoxy-4,6-dimethylphenyl)methanone is sourced from PubChem (CID 106679968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).