8-[(4-ethenylphenyl)methyl]-8-propylbicyclo[4.2.0]octa-1,3,5-trien-7-one

C20H20O — CID 102460184

IUPAC8-[(4-ethenylphenyl)methyl]-8-propylbicyclo[4.2.0]octa-1,3,5-trien-7-one
SMILESC=Cc1ccc(CC2(CCC)C(=O)c3ccccc32)cc1
InChIInChI=1S/C20H20O/c1-3-13-20(14-16-11-9-15(4-2)10-12-16)18-8-6-5-7-17(18)19(20)21/h4-12H,2-3,13-14H2,1H3
InChIKeyYCULMGMKWDAMCL-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.81
Rot. Bonds5

About 8-[(4-ethenylphenyl)methyl]-8-propylbicyclo[4.2.0]octa-1,3,5-trien-7-one

8-[(4-ethenylphenyl)methyl]-8-propylbicyclo[4.2.0]octa-1,3,5-trien-7-one (PubChem CID 102460184) has the molecular formula C20H20O and a molecular weight of 276.38 g/mol. Its IUPAC name is 8-[(4-ethenylphenyl)methyl]-8-propylbicyclo[4.2.0]octa-1,3,5-trien-7-one.

Molecular Properties

Compound Name8-[(4-ethenylphenyl)methyl]-8-propylbicyclo[4.2.0]octa-1,3,5-trien-7-one
PubChem CID102460184
Molecular FormulaC20H20O
Molecular Weight276.38 g/mol
Exact Mass276.15
IUPAC Name8-[(4-ethenylphenyl)methyl]-8-propylbicyclo[4.2.0]octa-1,3,5-trien-7-one
SMILESC=Cc1ccc(CC2(CCC)C(=O)c3ccccc32)cc1
InChIInChI=1S/C20H20O/c1-3-13-20(14-16-11-9-15(4-2)10-12-16)18-8-6-5-7-17(18)19(20)21/h4-12H,2-3,13-14H2,1H3
InChIKeyYCULMGMKWDAMCL-UHFFFAOYSA-N
XLogP4.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-ethyl-9-propylfluorene
CID 123584741
2-ethenyl-9,9-dihexylfluorene
CID 86189845
2,7-bis(9,9-dipropylfluoren-2-yl)-9,9-dipropylfluorene
CID 86174244
9-propyl-9-(3,3,3-trifluoropropyl)fluorene
CID 118371894
N-[4-[9,9-bis[(4-ethenylphenyl)methyl]fluoren-2-yl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 166977720
9-methyl-9-[[4-[(9-methylfluoren-9-yl)methyl]phenyl]methyl]fluorene
CID 86051025
9-methyl-9-propylfluorene
CID 13283188
9,9-bis[(4-ethenylphenyl)methyl]-2-methyl-7-(7-methyl-9,9-dioctylfluoren-2-yl)fluorene
CID 59687234
10,10-dibutylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,21-dione
CID 102139289
9,9-didecylfluorene
CID 5135289
9,9-di(docosyl)fluorene
CID 22568526
2-phenyl-9,9-dipropylfluorene
CID 154114384

Frequently Asked Questions

What is the IUPAC name of 8-[(4-ethenylphenyl)methyl]-8-propylbicyclo[4.2.0]octa-1,3,5-trien-7-one?
The IUPAC name of 8-[(4-ethenylphenyl)methyl]-8-propylbicyclo[4.2.0]octa-1,3,5-trien-7-one (CID 102460184) is 8-[(4-ethenylphenyl)methyl]-8-propylbicyclo[4.2.0]octa-1,3,5-trien-7-one.
What is the SMILES notation for 8-[(4-ethenylphenyl)methyl]-8-propylbicyclo[4.2.0]octa-1,3,5-trien-7-one?
The canonical SMILES for 8-[(4-ethenylphenyl)methyl]-8-propylbicyclo[4.2.0]octa-1,3,5-trien-7-one is C=Cc1ccc(CC2(CCC)C(=O)c3ccccc32)cc1.
What is the InChIKey of 8-[(4-ethenylphenyl)methyl]-8-propylbicyclo[4.2.0]octa-1,3,5-trien-7-one?
The InChIKey is YCULMGMKWDAMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O/c1-3-13-20(14-16-11-9-15(4-2)10-12-16)18-8-6-5-7-17(18)19(20)21/h4-12H,2-3,13-14H2,1H3.
What are the key properties of 8-[(4-ethenylphenyl)methyl]-8-propylbicyclo[4.2.0]octa-1,3,5-trien-7-one?
8-[(4-ethenylphenyl)methyl]-8-propylbicyclo[4.2.0]octa-1,3,5-trien-7-one has a molecular weight of 276.38 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-ethenylphenyl)methyl]-8-propylbicyclo[4.2.0]octa-1,3,5-trien-7-one is sourced from PubChem (CID 102460184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).