1-[4-(4-propylphenyl)phenyl]propan-1-one

C18H20O — CID 63424296

IUPAC1-[4-(4-propylphenyl)phenyl]propan-1-one
SMILESCCCc1ccc(-c2ccc(C(=O)CC)cc2)cc1
InChIInChI=1S/C18H20O/c1-3-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18(19)4-2/h6-13H,3-5H2,1-2H3
InChIKeyORLWMTCKGASYKW-UHFFFAOYSA-N
MW252.36 g/mol
LogP4.90
Rot. Bonds5

About 1-[4-(4-propylphenyl)phenyl]propan-1-one

1-[4-(4-propylphenyl)phenyl]propan-1-one (PubChem CID 63424296) has the molecular formula C18H20O and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-[4-(4-propylphenyl)phenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-(4-propylphenyl)phenyl]propan-1-one
PubChem CID63424296
Molecular FormulaC18H20O
Molecular Weight252.36 g/mol
Exact Mass252.15
IUPAC Name1-[4-(4-propylphenyl)phenyl]propan-1-one
SMILESCCCc1ccc(-c2ccc(C(=O)CC)cc2)cc1
InChIInChI=1S/C18H20O/c1-3-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18(19)4-2/h6-13H,3-5H2,1-2H3
InChIKeyORLWMTCKGASYKW-UHFFFAOYSA-N
XLogP4.90
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(4-propylphenyl)phenyl]pentan-1-one
CID 142331606
1-[4-[3-(4-propanoylphenyl)propyl]phenyl]propan-1-one
CID 134887749
3-methylsulfanyl-1-[4-(4-propylphenyl)phenyl]propan-1-one
CID 146007939
cyclopropyl-[4-(4-propylphenyl)phenyl]methanone
CID 145118080
methyl 4-[4-(4-propylphenyl)phenyl]benzoate
CID 142331537
formaldehyde;1-(4-propylphenyl)butan-1-one
CID 143969560
1-[4-[4-(2-bromoacetyl)phenyl]phenyl]propan-1-one
CID 123680970
[4-(4-propylphenyl)phenyl] 4-propylbenzoate
CID 54214420
1-[4-[3-(4-bromophenyl)propyl]phenyl]propan-1-one
CID 4244816
1-(4-propylphenyl)decan-1-one
CID 65449493
ethane;4-propylbenzoic acid
CID 91047964
2-iodo-1-[4-(4-octylphenyl)phenyl]ethanone
CID 21028908

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-propylphenyl)phenyl]propan-1-one?
The IUPAC name of 1-[4-(4-propylphenyl)phenyl]propan-1-one (CID 63424296) is 1-[4-(4-propylphenyl)phenyl]propan-1-one.
What is the SMILES notation for 1-[4-(4-propylphenyl)phenyl]propan-1-one?
The canonical SMILES for 1-[4-(4-propylphenyl)phenyl]propan-1-one is CCCc1ccc(-c2ccc(C(=O)CC)cc2)cc1.
What is the InChIKey of 1-[4-(4-propylphenyl)phenyl]propan-1-one?
The InChIKey is ORLWMTCKGASYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O/c1-3-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18(19)4-2/h6-13H,3-5H2,1-2H3.
What are the key properties of 1-[4-(4-propylphenyl)phenyl]propan-1-one?
1-[4-(4-propylphenyl)phenyl]propan-1-one has a molecular weight of 252.36 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-propylphenyl)phenyl]propan-1-one is sourced from PubChem (CID 63424296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).