1-[2-(prop-2-enoxymethyl)phenyl]pentan-1-one

C15H20O2 — CID 100963408

IUPAC1-[2-(prop-2-enoxymethyl)phenyl]pentan-1-one
SMILESC=CCOCc1ccccc1C(=O)CCCC
InChIInChI=1S/C15H20O2/c1-3-5-10-15(16)14-9-7-6-8-13(14)12-17-11-4-2/h4,6-9H,2-3,5,10-12H2,1H3
InChIKeyQFQMZNYQKUHQHS-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.76
Rot. Bonds8

About 1-[2-(prop-2-enoxymethyl)phenyl]pentan-1-one

1-[2-(prop-2-enoxymethyl)phenyl]pentan-1-one (PubChem CID 100963408) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 1-[2-(prop-2-enoxymethyl)phenyl]pentan-1-one.

Molecular Properties

Compound Name1-[2-(prop-2-enoxymethyl)phenyl]pentan-1-one
PubChem CID100963408
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name1-[2-(prop-2-enoxymethyl)phenyl]pentan-1-one
SMILESC=CCOCc1ccccc1C(=O)CCCC
InChIInChI=1S/C15H20O2/c1-3-5-10-15(16)14-9-7-6-8-13(14)12-17-11-4-2/h4,6-9H,2-3,5,10-12H2,1H3
InChIKeyQFQMZNYQKUHQHS-UHFFFAOYSA-N
XLogP3.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.76
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-ethylphenyl)pentan-1-one;pentane
CID 142147591
methyl 2-(2-prop-2-enoxyethoxymethyl)benzoate
CID 145437677
ethane;methyl 2-(4-prop-2-enoxybutoxymethyl)benzoate
CID 145437949
1-(2-hexylphenyl)but-3-en-1-one
CID 174990996
2-fluoro-3-(prop-2-enoxymethyl)benzoic acid
CID 107119645
1-(2-ethylphenyl)-4-ethylsulfonylbutan-1-one
CID 114974508
1-(2-octadecylphenyl)butan-1-one
CID 174561443
1-ethyl-2-(3-methylocta-1,3-dien-4-yl)benzene
CID 173408887
1-[2-[2-(methylamino)ethyl]phenyl]hex-5-en-1-one
CID 116613275
4-chloro-1-(2-ethylphenyl)butan-1-one
CID 14910275
tert-butyl 3-[2-(prop-2-enoxymethyl)phenyl]propanoate
CID 21062277
methyl 4-oxo-4-(2-prop-2-enylphenyl)butanoate
CID 10331498

Frequently Asked Questions

What is the IUPAC name of 1-[2-(prop-2-enoxymethyl)phenyl]pentan-1-one?
The IUPAC name of 1-[2-(prop-2-enoxymethyl)phenyl]pentan-1-one (CID 100963408) is 1-[2-(prop-2-enoxymethyl)phenyl]pentan-1-one.
What is the SMILES notation for 1-[2-(prop-2-enoxymethyl)phenyl]pentan-1-one?
The canonical SMILES for 1-[2-(prop-2-enoxymethyl)phenyl]pentan-1-one is C=CCOCc1ccccc1C(=O)CCCC.
What is the InChIKey of 1-[2-(prop-2-enoxymethyl)phenyl]pentan-1-one?
The InChIKey is QFQMZNYQKUHQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-3-5-10-15(16)14-9-7-6-8-13(14)12-17-11-4-2/h4,6-9H,2-3,5,10-12H2,1H3.
What are the key properties of 1-[2-(prop-2-enoxymethyl)phenyl]pentan-1-one?
1-[2-(prop-2-enoxymethyl)phenyl]pentan-1-one has a molecular weight of 232.32 g/mol, XLogP of 3.76, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(prop-2-enoxymethyl)phenyl]pentan-1-one is sourced from PubChem (CID 100963408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).