7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-propan-2-ylphenyl)methanone

C18H18O — CID 64986357

IUPAC7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccc(C(=O)C2Cc3ccccc32)cc1
InChIInChI=1S/C18H18O/c1-12(2)13-7-9-14(10-8-13)18(19)17-11-15-5-3-4-6-16(15)17/h3-10,12,17H,11H2,1-2H3
InChIKeyIOVYKBGPLVKNIR-UHFFFAOYSA-N
MW250.34 g/mol
LogP4.33
Rot. Bonds3

About 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-propan-2-ylphenyl)methanone

7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-propan-2-ylphenyl)methanone (PubChem CID 64986357) has the molecular formula C18H18O and a molecular weight of 250.34 g/mol. Its IUPAC name is 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Name7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-propan-2-ylphenyl)methanone
PubChem CID64986357
Molecular FormulaC18H18O
Molecular Weight250.34 g/mol
Exact Mass250.14
IUPAC Name7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccc(C(=O)C2Cc3ccccc32)cc1
InChIInChI=1S/C18H18O/c1-12(2)13-7-9-14(10-8-13)18(19)17-11-15-5-3-4-6-16(15)17/h3-10,12,17H,11H2,1-2H3
InChIKeyIOVYKBGPLVKNIR-UHFFFAOYSA-N
XLogP4.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-aminophenyl)-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanone
CID 66395209
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-ethylphenyl)methanone
CID 64982409
7-bicyclo[4.2.0]octa-1,3,5-trienyl(naphthalen-2-yl)methanone
CID 64982460
(4-amino-3-methylphenyl)-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanone
CID 66395210
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
N-[4-(1-aminoethyl)phenyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66395901
methyl (7S)-bicyclo[4.2.0]octa-1,3,5-triene-7-carboxylate
CID 124511173
2-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonylamino)propanoic acid
CID 66396862
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,4-dichlorophenyl)methanone
CID 66396102
4-propan-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2098930
[(2R)-2-methyl-2,3-dihydroindol-1-yl]-(4-propan-2-ylphenyl)methanone
CID 26910929

Frequently Asked Questions

What is the IUPAC name of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-propan-2-ylphenyl)methanone?
The IUPAC name of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-propan-2-ylphenyl)methanone (CID 64986357) is 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-propan-2-ylphenyl)methanone.
What is the SMILES notation for 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-propan-2-ylphenyl)methanone?
The canonical SMILES for 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-propan-2-ylphenyl)methanone is CC(C)c1ccc(C(=O)C2Cc3ccccc32)cc1.
What is the InChIKey of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-propan-2-ylphenyl)methanone?
The InChIKey is IOVYKBGPLVKNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O/c1-12(2)13-7-9-14(10-8-13)18(19)17-11-15-5-3-4-6-16(15)17/h3-10,12,17H,11H2,1-2H3.
What are the key properties of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-propan-2-ylphenyl)methanone?
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-propan-2-ylphenyl)methanone has a molecular weight of 250.34 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-propan-2-ylphenyl)methanone is sourced from PubChem (CID 64986357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).