(4R)-4-(2-phenylmethoxyethyl)hex-5-en-2-one

C15H20O2 — CID 134968478

IUPAC(4R)-4-(2-phenylmethoxyethyl)hex-5-en-2-one
SMILESC=CC(CCOCc1ccccc1)CC(C)=O
InChIInChI=1S/C15H20O2/c1-3-14(11-13(2)16)9-10-17-12-15-7-5-4-6-8-15/h3-8,14H,1,9-12H2,2H3
InChIKeyLTLGBFDJIZCWND-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.37
Rot. Bonds8

About (4R)-4-(2-phenylmethoxyethyl)hex-5-en-2-one

(4R)-4-(2-phenylmethoxyethyl)hex-5-en-2-one (PubChem CID 134968478) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is (4R)-4-(2-phenylmethoxyethyl)hex-5-en-2-one.

Molecular Properties

Compound Name(4R)-4-(2-phenylmethoxyethyl)hex-5-en-2-one
PubChem CID134968478
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name(4R)-4-(2-phenylmethoxyethyl)hex-5-en-2-one
SMILESC=CC(CCOCc1ccccc1)CC(C)=O
InChIInChI=1S/C15H20O2/c1-3-14(11-13(2)16)9-10-17-12-15-7-5-4-6-8-15/h3-8,14H,1,9-12H2,2H3
InChIKeyLTLGBFDJIZCWND-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
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

4-(2-phenylmethoxyethyl)hex-5-enal
CID 139530154
[(3S,4R)-4-methyl-1-phenylmethoxyhex-5-en-3-yl] acetate
CID 15942144
3-(2-phenylmethoxyethyl)hept-6-en-2-one
CID 102459142
4-methyl-6-phenylmethoxyhex-1-en-3-one
CID 175450256
[(3R,5R)-5-(methoxymethoxy)-1-phenylmethoxyhept-6-en-3-yl] acetate
CID 50915848
(5-oxo-1-phenylmethoxyhexan-3-yl) 3-methoxy-5-phenylpentanoate
CID 58602309
(2S)-2-hydroxy-4-phenylmethoxybutanoic acid
CID 15282429
acetic acid;phenylmethoxymethylbenzene
CID 175214238
(3R)-6-phenylmethoxyhex-1-en-3-ol
CID 23649849
4-hydroxy-3-methyl-7-phenylmethoxyheptan-2-one
CID 18338993
(2S)-2-acetamido-4-phenylmethoxybutanoic acid
CID 129322933
2-hydroxy-4-phenylmethoxybutanal
CID 130035859

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2-phenylmethoxyethyl)hex-5-en-2-one?
The IUPAC name of (4R)-4-(2-phenylmethoxyethyl)hex-5-en-2-one (CID 134968478) is (4R)-4-(2-phenylmethoxyethyl)hex-5-en-2-one.
What is the SMILES notation for (4R)-4-(2-phenylmethoxyethyl)hex-5-en-2-one?
The canonical SMILES for (4R)-4-(2-phenylmethoxyethyl)hex-5-en-2-one is C=CC(CCOCc1ccccc1)CC(C)=O.
What is the InChIKey of (4R)-4-(2-phenylmethoxyethyl)hex-5-en-2-one?
The InChIKey is LTLGBFDJIZCWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-3-14(11-13(2)16)9-10-17-12-15-7-5-4-6-8-15/h3-8,14H,1,9-12H2,2H3.
What are the key properties of (4R)-4-(2-phenylmethoxyethyl)hex-5-en-2-one?
(4R)-4-(2-phenylmethoxyethyl)hex-5-en-2-one has a molecular weight of 232.32 g/mol, XLogP of 3.37, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2-phenylmethoxyethyl)hex-5-en-2-one is sourced from PubChem (CID 134968478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).