1-[1-(4-methoxyphenyl)prop-2-enoxy]hex-5-en-2-one

C16H20O3 — CID 23242882

IUPAC1-[1-(4-methoxyphenyl)prop-2-enoxy]hex-5-en-2-one
SMILESC=CCCC(=O)COC(C=C)c1ccc(OC)cc1
InChIInChI=1S/C16H20O3/c1-4-6-7-14(17)12-19-16(5-2)13-8-10-15(18-3)11-9-13/h4-5,8-11,16H,1-2,6-7,12H2,3H3
InChIKeyXVCIGXTXZQZBDS-UHFFFAOYSA-N
MW260.33 g/mol
LogP3.47
Rot. Bonds9

About 1-[1-(4-methoxyphenyl)prop-2-enoxy]hex-5-en-2-one

1-[1-(4-methoxyphenyl)prop-2-enoxy]hex-5-en-2-one (PubChem CID 23242882) has the molecular formula C16H20O3 and a molecular weight of 260.33 g/mol. Its IUPAC name is 1-[1-(4-methoxyphenyl)prop-2-enoxy]hex-5-en-2-one.

Molecular Properties

Compound Name1-[1-(4-methoxyphenyl)prop-2-enoxy]hex-5-en-2-one
PubChem CID23242882
Molecular FormulaC16H20O3
Molecular Weight260.33 g/mol
Exact Mass260.14
IUPAC Name1-[1-(4-methoxyphenyl)prop-2-enoxy]hex-5-en-2-one
SMILESC=CCCC(=O)COC(C=C)c1ccc(OC)cc1
InChIInChI=1S/C16H20O3/c1-4-6-7-14(17)12-19-16(5-2)13-8-10-15(18-3)11-9-13/h4-5,8-11,16H,1-2,6-7,12H2,3H3
InChIKeyXVCIGXTXZQZBDS-UHFFFAOYSA-N
XLogP3.47
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-4-(1-methoxyprop-2-enyl)benzene
CID 14594939
(2R)-2-(4-methoxyphenyl)pent-4-enoic acid
CID 124577541
triethyl-[(1S)-1-(4-methoxyphenyl)prop-2-enoxy]silane
CID 134880448
N-[3-(4-methoxyphenyl)prop-2-ynyl]pent-4-enamide
CID 90548876
prop-2-enyl 3,3,3-trifluoro-2-(4-methoxyphenyl)propanoate
CID 71473221
2-but-3-enoxy-1-(4-methoxyphenyl)ethanone
CID 62031391
[(1R)-1-(4-methoxyphenyl)but-3-enyl] acetate
CID 10955082
1-methoxy-4-[1-(4-methoxyphenyl)but-3-enyl]benzene
CID 10912530
(3R)-3-ethyl-2-(4-methoxyphenyl)pent-4-enoic acid
CID 142815770
N-[(1R)-1-(4-methoxyphenyl)ethyl]but-3-en-1-amine
CID 71661481
(3S)-4-ethenyl-3-(4-methoxyphenyl)non-8-en-4-ol
CID 134861744
1-[1-(4-methoxyphenoxy)prop-2-enyl]-4-nitrobenzene
CID 132506412

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methoxyphenyl)prop-2-enoxy]hex-5-en-2-one?
The IUPAC name of 1-[1-(4-methoxyphenyl)prop-2-enoxy]hex-5-en-2-one (CID 23242882) is 1-[1-(4-methoxyphenyl)prop-2-enoxy]hex-5-en-2-one.
What is the SMILES notation for 1-[1-(4-methoxyphenyl)prop-2-enoxy]hex-5-en-2-one?
The canonical SMILES for 1-[1-(4-methoxyphenyl)prop-2-enoxy]hex-5-en-2-one is C=CCCC(=O)COC(C=C)c1ccc(OC)cc1.
What is the InChIKey of 1-[1-(4-methoxyphenyl)prop-2-enoxy]hex-5-en-2-one?
The InChIKey is XVCIGXTXZQZBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O3/c1-4-6-7-14(17)12-19-16(5-2)13-8-10-15(18-3)11-9-13/h4-5,8-11,16H,1-2,6-7,12H2,3H3.
What are the key properties of 1-[1-(4-methoxyphenyl)prop-2-enoxy]hex-5-en-2-one?
1-[1-(4-methoxyphenyl)prop-2-enoxy]hex-5-en-2-one has a molecular weight of 260.33 g/mol, XLogP of 3.47, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methoxyphenyl)prop-2-enoxy]hex-5-en-2-one is sourced from PubChem (CID 23242882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).