1-(3-phenyl-1-bicyclo[1.1.0]butanyl)pentan-1-one

C15H18O — CID 176907665

IUPAC1-(3-phenyl-1-bicyclo[1.1.0]butanyl)pentan-1-one
SMILESCCCCC(=O)C12CC1(c1ccccc1)C2
InChIInChI=1S/C15H18O/c1-2-3-9-13(16)15-10-14(15,11-15)12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3
InChIKeyXXRKAVZUXFBYMG-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.48
Rot. Bonds5

About 1-(3-phenyl-1-bicyclo[1.1.0]butanyl)pentan-1-one

1-(3-phenyl-1-bicyclo[1.1.0]butanyl)pentan-1-one (PubChem CID 176907665) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-(3-phenyl-1-bicyclo[1.1.0]butanyl)pentan-1-one.

Molecular Properties

Compound Name1-(3-phenyl-1-bicyclo[1.1.0]butanyl)pentan-1-one
PubChem CID176907665
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name1-(3-phenyl-1-bicyclo[1.1.0]butanyl)pentan-1-one
SMILESCCCCC(=O)C12CC1(c1ccccc1)C2
InChIInChI=1S/C15H18O/c1-2-3-9-13(16)15-10-14(15,11-15)12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3
InChIKeyXXRKAVZUXFBYMG-UHFFFAOYSA-N
XLogP3.48
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;1-phenylpentan-1-one
CID 143728184
1-(3-ethyl-3-phenylazetidin-1-yl)pentan-1-one
CID 163612961
1-phenylheptadecan-1-one
CID 577626
1-[4-(1-pentanoylcyclohexyl)phenyl]pentan-1-one
CID 70445054
[(E)-hept-2-en-3-yl]benzene
CID 14568345
chlorobenzene;pentanoyl chloride
CID 174976374
1-(1-hydroxy-4-phenylpiperidin-4-yl)butan-1-one
CID 91605385
[(1S,2S)-2-butyl-2-methyl-1-phenylcyclopropyl]methanol
CID 101336318
1-phenylbutan-1-one
CID 10315
[2-(pentanoyloxymethyl)phenyl]methyl pentanoate
CID 122421006
(2E)-2-benzylidenehexanoic acid
CID 5354388
pentanoate;phenylazanium
CID 139301604

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenyl-1-bicyclo[1.1.0]butanyl)pentan-1-one?
The IUPAC name of 1-(3-phenyl-1-bicyclo[1.1.0]butanyl)pentan-1-one (CID 176907665) is 1-(3-phenyl-1-bicyclo[1.1.0]butanyl)pentan-1-one.
What is the SMILES notation for 1-(3-phenyl-1-bicyclo[1.1.0]butanyl)pentan-1-one?
The canonical SMILES for 1-(3-phenyl-1-bicyclo[1.1.0]butanyl)pentan-1-one is CCCCC(=O)C12CC1(c1ccccc1)C2.
What is the InChIKey of 1-(3-phenyl-1-bicyclo[1.1.0]butanyl)pentan-1-one?
The InChIKey is XXRKAVZUXFBYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O/c1-2-3-9-13(16)15-10-14(15,11-15)12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3.
What are the key properties of 1-(3-phenyl-1-bicyclo[1.1.0]butanyl)pentan-1-one?
1-(3-phenyl-1-bicyclo[1.1.0]butanyl)pentan-1-one has a molecular weight of 214.31 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenyl-1-bicyclo[1.1.0]butanyl)pentan-1-one is sourced from PubChem (CID 176907665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).