1-(4-hexylphenyl)prop-2-en-1-one

C15H20O — CID 14899645

IUPAC1-(4-hexylphenyl)prop-2-en-1-one
SMILESC=CC(=O)c1ccc(CCCCCC)cc1
InChIInChI=1S/C15H20O/c1-3-5-6-7-8-13-9-11-14(12-10-13)15(16)4-2/h4,9-12H,2-3,5-8H2,1H3
InChIKeyIINHTEWASPUCMH-UHFFFAOYSA-N
MW216.32 g/mol
LogP4.18
Rot. Bonds7

About 1-(4-hexylphenyl)prop-2-en-1-one

1-(4-hexylphenyl)prop-2-en-1-one (PubChem CID 14899645) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 1-(4-hexylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(4-hexylphenyl)prop-2-en-1-one
PubChem CID14899645
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name1-(4-hexylphenyl)prop-2-en-1-one
SMILESC=CC(=O)c1ccc(CCCCCC)cc1
InChIInChI=1S/C15H20O/c1-3-5-6-7-8-13-9-11-14(12-10-13)15(16)4-2/h4,9-12H,2-3,5-8H2,1H3
InChIKeyIINHTEWASPUCMH-UHFFFAOYSA-N
XLogP4.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Benzophenone
CID 3102
Menadione
CID 4055
Acetophenone
CID 7410
Phylloquinone
CID 5284607
Vitamin K
CID 5280483
1,2-Naphthoquinone
CID 10667
Menatetrenone
CID 5282367
4-Methylbenzaldehyde
CID 7725
alpha-Hexylcinnamaldehyde
CID 1550884
1-Phenyl-1-propanone
CID 7148
1-Phenyl-1,2-propanedione
CID 11363
Chalcone
CID 637760

Frequently Asked Questions

What is the IUPAC name of 1-(4-hexylphenyl)prop-2-en-1-one?
The IUPAC name of 1-(4-hexylphenyl)prop-2-en-1-one (CID 14899645) is 1-(4-hexylphenyl)prop-2-en-1-one.
What is the SMILES notation for 1-(4-hexylphenyl)prop-2-en-1-one?
The canonical SMILES for 1-(4-hexylphenyl)prop-2-en-1-one is C=CC(=O)c1ccc(CCCCCC)cc1.
What is the InChIKey of 1-(4-hexylphenyl)prop-2-en-1-one?
The InChIKey is IINHTEWASPUCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-3-5-6-7-8-13-9-11-14(12-10-13)15(16)4-2/h4,9-12H,2-3,5-8H2,1H3.
What are the key properties of 1-(4-hexylphenyl)prop-2-en-1-one?
1-(4-hexylphenyl)prop-2-en-1-one has a molecular weight of 216.32 g/mol, XLogP of 4.18, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hexylphenyl)prop-2-en-1-one is sourced from PubChem (CID 14899645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).