1-(4-phenylphenyl)pentan-3-one

C17H18O — CID 58444061

IUPAC1-(4-phenylphenyl)pentan-3-one
SMILESCCC(=O)CCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H18O/c1-2-17(18)13-10-14-8-11-16(12-9-14)15-6-4-3-5-7-15/h3-9,11-12H,2,10,13H2,1H3
InChIKeyVBWSCRFYOUHISV-UHFFFAOYSA-N
MW238.33 g/mol
LogP4.27
Rot. Bonds5

About 1-(4-phenylphenyl)pentan-3-one

1-(4-phenylphenyl)pentan-3-one (PubChem CID 58444061) has the molecular formula C17H18O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(4-phenylphenyl)pentan-3-one.

Molecular Properties

Compound Name1-(4-phenylphenyl)pentan-3-one
PubChem CID58444061
Molecular FormulaC17H18O
Molecular Weight238.33 g/mol
Exact Mass238.14
IUPAC Name1-(4-phenylphenyl)pentan-3-one
SMILESCCC(=O)CCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H18O/c1-2-17(18)13-10-14-8-11-16(12-9-14)15-6-4-3-5-7-15/h3-9,11-12H,2,10,13H2,1H3
InChIKeyVBWSCRFYOUHISV-UHFFFAOYSA-N
XLogP4.27
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

methanamine;1-phenylpentan-3-one
CID 167492251
ethane;3-(4-phenylphenyl)propanoic acid
CID 91257280
1-(4-phenylmethoxyphenyl)pentan-3-one
CID 18798710
methyl 3-[4-(4-phenylphenyl)phenyl]propanoate
CID 69206363
disodium;bis(3-(4-phenylphenyl)propanoate);hydrate
CID 159268248
N-hydroxy-3-(4-phenylphenyl)propanamide
CID 22915508
N'-methyl-3-(4-phenylphenyl)propanehydrazide
CID 116846347
1-[4-(4-hydroxyphenyl)phenyl]-4-phenylbutan-2-one
CID 71035018
1-(4-ethenylphenyl)pentan-3-one
CID 20804902
methyl 3-[4-(N-[4-[4-[4-(3-methoxy-3-oxopropyl)-N-(4-phenylphenyl)anilino]phenyl]phenyl]-4-phenylanilino)phenyl]propanoate
CID 22335995
N-methoxy-3-(4-phenylphenyl)propanamide
CID 144913609
methyl 3-[4-[4-[2-[4-[4-(4-hydroxy-3-oxobutyl)-N-(4-phenylphenyl)anilino]phenyl]ethyl]-N-(4-phenylphenyl)anilino]phenyl]propanoate
CID 71277319

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylphenyl)pentan-3-one?
The IUPAC name of 1-(4-phenylphenyl)pentan-3-one (CID 58444061) is 1-(4-phenylphenyl)pentan-3-one.
What is the SMILES notation for 1-(4-phenylphenyl)pentan-3-one?
The canonical SMILES for 1-(4-phenylphenyl)pentan-3-one is CCC(=O)CCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-(4-phenylphenyl)pentan-3-one?
The InChIKey is VBWSCRFYOUHISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O/c1-2-17(18)13-10-14-8-11-16(12-9-14)15-6-4-3-5-7-15/h3-9,11-12H,2,10,13H2,1H3.
What are the key properties of 1-(4-phenylphenyl)pentan-3-one?
1-(4-phenylphenyl)pentan-3-one has a molecular weight of 238.33 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylphenyl)pentan-3-one is sourced from PubChem (CID 58444061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).