1-(2-methyl-6-prop-2-enoxyphenyl)hex-5-en-1-one

C16H20O2 — CID 72551323

IUPAC1-(2-methyl-6-prop-2-enoxyphenyl)hex-5-en-1-one
SMILESC=CCCCC(=O)c1c(C)cccc1OCC=C
InChIInChI=1S/C16H20O2/c1-4-6-7-10-14(17)16-13(3)9-8-11-15(16)18-12-5-2/h4-5,8-9,11H,1-2,6-7,10,12H2,3H3
InChIKeyRUYZOADNBYUPMM-UHFFFAOYSA-N
MW244.33 g/mol
LogP4.10
Rot. Bonds8

About 1-(2-methyl-6-prop-2-enoxyphenyl)hex-5-en-1-one

1-(2-methyl-6-prop-2-enoxyphenyl)hex-5-en-1-one (PubChem CID 72551323) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is 1-(2-methyl-6-prop-2-enoxyphenyl)hex-5-en-1-one.

Molecular Properties

Compound Name1-(2-methyl-6-prop-2-enoxyphenyl)hex-5-en-1-one
PubChem CID72551323
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name1-(2-methyl-6-prop-2-enoxyphenyl)hex-5-en-1-one
SMILESC=CCCCC(=O)c1c(C)cccc1OCC=C
InChIInChI=1S/C16H20O2/c1-4-6-7-10-14(17)16-13(3)9-8-11-15(16)18-12-5-2/h4-5,8-9,11H,1-2,6-7,10,12H2,3H3
InChIKeyRUYZOADNBYUPMM-UHFFFAOYSA-N
XLogP4.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chloro-3-methylphenyl)hex-5-en-1-one
CID 114974829
(2-methyl-6-prop-2-enoxyphenyl) butanoate
CID 174356346
1-(2,3-dimethylphenyl)oct-7-en-1-one
CID 107011226
1-[2-iodo-3-(methoxymethoxy)phenyl]hex-5-en-1-one
CID 100921190
1-(2-ethoxy-6-methylphenyl)ethanone
CID 54221624
2-tert-butyl-1-methyl-3-prop-2-enoxybenzene
CID 146377122
1-(2-methoxyphenyl)hept-6-en-1-one
CID 159355856
1-[2-methyl-4,6-bis(prop-2-enoxy)phenyl]propan-1-one
CID 86718660
bis(2-prop-2-enoxyphenyl)methanone
CID 54013636
2-hydroxy-1-(2-prop-2-enoxyphenyl)ethanone
CID 19910773
methyl 2-(2-methoxyphenyl)iminohept-6-enoate
CID 24864421
1-(2,4,6-trimethylphenyl)pent-4-en-1-one
CID 83700582

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-6-prop-2-enoxyphenyl)hex-5-en-1-one?
The IUPAC name of 1-(2-methyl-6-prop-2-enoxyphenyl)hex-5-en-1-one (CID 72551323) is 1-(2-methyl-6-prop-2-enoxyphenyl)hex-5-en-1-one.
What is the SMILES notation for 1-(2-methyl-6-prop-2-enoxyphenyl)hex-5-en-1-one?
The canonical SMILES for 1-(2-methyl-6-prop-2-enoxyphenyl)hex-5-en-1-one is C=CCCCC(=O)c1c(C)cccc1OCC=C.
What is the InChIKey of 1-(2-methyl-6-prop-2-enoxyphenyl)hex-5-en-1-one?
The InChIKey is RUYZOADNBYUPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2/c1-4-6-7-10-14(17)16-13(3)9-8-11-15(16)18-12-5-2/h4-5,8-9,11H,1-2,6-7,10,12H2,3H3.
What are the key properties of 1-(2-methyl-6-prop-2-enoxyphenyl)hex-5-en-1-one?
1-(2-methyl-6-prop-2-enoxyphenyl)hex-5-en-1-one has a molecular weight of 244.33 g/mol, XLogP of 4.10, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-6-prop-2-enoxyphenyl)hex-5-en-1-one is sourced from PubChem (CID 72551323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).