1-(3-but-3-enyl-4-butylphenyl)ethanone

C16H22O — CID 130327544

IUPAC1-(3-but-3-enyl-4-butylphenyl)ethanone
SMILESC=CCCc1cc(C(C)=O)ccc1CCCC
InChIInChI=1S/C16H22O/c1-4-6-8-14-10-11-15(13(3)17)12-16(14)9-7-5-2/h5,10-12H,2,4,6-9H2,1,3H3
InChIKeyUURYQSYOXOTWHR-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.35
Rot. Bonds7

About 1-(3-but-3-enyl-4-butylphenyl)ethanone

1-(3-but-3-enyl-4-butylphenyl)ethanone (PubChem CID 130327544) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-(3-but-3-enyl-4-butylphenyl)ethanone.

Molecular Properties

Compound Name1-(3-but-3-enyl-4-butylphenyl)ethanone
PubChem CID130327544
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name1-(3-but-3-enyl-4-butylphenyl)ethanone
SMILESC=CCCc1cc(C(C)=O)ccc1CCCC
InChIInChI=1S/C16H22O/c1-4-6-8-14-10-11-15(13(3)17)12-16(14)9-7-5-2/h5,10-12H,2,4,6-9H2,1,3H3
InChIKeyUURYQSYOXOTWHR-UHFFFAOYSA-N
XLogP4.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[(Z)-but-2-en-2-yl]-1,2-dibutylbenzene
CID 174661250
1-(4-pentoxy-3-prop-2-enylphenyl)ethanone
CID 54849741
2-(4-acetyl-2-butylphenyl)-1-(4-hydroxy-2-methylphenyl)ethanone
CID 144809292
ethyl 3,4-dibutylbenzoate
CID 166060053
3-but-3-enoxy-4-pentylbenzoic acid
CID 118480291
4-[2-(3,4-dibutylphenyl)prop-1-enyl]benzoic acid
CID 54164279
3,4-didodecylbenzoic acid
CID 71073316
1-but-3-enyl-2,3-dibutylbenzene
CID 140596669
1-(4-methyl-3-prop-2-enylphenyl)ethanone
CID 143718324
1-(3-methyl-4-propylphenyl)ethanone
CID 118119464
1-(4-butoxy-3-ethylphenyl)ethanone
CID 90741782
2-(2-butyl-4-prop-1-en-2-ylphenyl)-1-(2,4-dihydroxyphenyl)ethanone
CID 144809262

Frequently Asked Questions

What is the IUPAC name of 1-(3-but-3-enyl-4-butylphenyl)ethanone?
The IUPAC name of 1-(3-but-3-enyl-4-butylphenyl)ethanone (CID 130327544) is 1-(3-but-3-enyl-4-butylphenyl)ethanone.
What is the SMILES notation for 1-(3-but-3-enyl-4-butylphenyl)ethanone?
The canonical SMILES for 1-(3-but-3-enyl-4-butylphenyl)ethanone is C=CCCc1cc(C(C)=O)ccc1CCCC.
What is the InChIKey of 1-(3-but-3-enyl-4-butylphenyl)ethanone?
The InChIKey is UURYQSYOXOTWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O/c1-4-6-8-14-10-11-15(13(3)17)12-16(14)9-7-5-2/h5,10-12H,2,4,6-9H2,1,3H3.
What are the key properties of 1-(3-but-3-enyl-4-butylphenyl)ethanone?
1-(3-but-3-enyl-4-butylphenyl)ethanone has a molecular weight of 230.35 g/mol, XLogP of 4.35, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-but-3-enyl-4-butylphenyl)ethanone is sourced from PubChem (CID 130327544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).