3-phenyl-1-(4-propylphenyl)prop-2-en-1-one

C18H18O — CID 162367124

IUPAC3-phenyl-1-(4-propylphenyl)prop-2-en-1-one
SMILESCCCc1ccc(C(=O)C=Cc2ccccc2)cc1
InChIInChI=1S/C18H18O/c1-2-6-15-9-12-17(13-10-15)18(19)14-11-16-7-4-3-5-8-16/h3-5,7-14H,2,6H2,1H3
InChIKeyZYQKFQGMXWMPNT-UHFFFAOYSA-N
MW250.34 g/mol
LogP4.54
Rot. Bonds5

About 3-phenyl-1-(4-propylphenyl)prop-2-en-1-one

3-phenyl-1-(4-propylphenyl)prop-2-en-1-one (PubChem CID 162367124) has the molecular formula C18H18O and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-phenyl-1-(4-propylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name3-phenyl-1-(4-propylphenyl)prop-2-en-1-one
PubChem CID162367124
Molecular FormulaC18H18O
Molecular Weight250.34 g/mol
Exact Mass250.14
IUPAC Name3-phenyl-1-(4-propylphenyl)prop-2-en-1-one
SMILESCCCc1ccc(C(=O)C=Cc2ccccc2)cc1
InChIInChI=1S/C18H18O/c1-2-6-15-9-12-17(13-10-15)18(19)14-11-16-7-4-3-5-8-16/h3-5,7-14H,2,6H2,1H3
InChIKeyZYQKFQGMXWMPNT-UHFFFAOYSA-N
XLogP4.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-(4-propylphenyl)prop-2-en-1-one?
The IUPAC name of 3-phenyl-1-(4-propylphenyl)prop-2-en-1-one (CID 162367124) is 3-phenyl-1-(4-propylphenyl)prop-2-en-1-one.
What is the SMILES notation for 3-phenyl-1-(4-propylphenyl)prop-2-en-1-one?
The canonical SMILES for 3-phenyl-1-(4-propylphenyl)prop-2-en-1-one is CCCc1ccc(C(=O)C=Cc2ccccc2)cc1.
What is the InChIKey of 3-phenyl-1-(4-propylphenyl)prop-2-en-1-one?
The InChIKey is ZYQKFQGMXWMPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O/c1-2-6-15-9-12-17(13-10-15)18(19)14-11-16-7-4-3-5-8-16/h3-5,7-14H,2,6H2,1H3.
What are the key properties of 3-phenyl-1-(4-propylphenyl)prop-2-en-1-one?
3-phenyl-1-(4-propylphenyl)prop-2-en-1-one has a molecular weight of 250.34 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-(4-propylphenyl)prop-2-en-1-one is sourced from PubChem (CID 162367124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).