(2R)-4-methyl-2-[(2R)-2-phenylmethoxypentyl]-2,3-dihydropyran-6-one

C18H24O3 — CID 46844681

IUPAC(2R)-4-methyl-2-[(2R)-2-phenylmethoxypentyl]-2,3-dihydropyran-6-one
SMILESCCC[C@H](C[C@H]1CC(C)=CC(=O)O1)OCc1ccccc1
InChIInChI=1S/C18H24O3/c1-3-7-16(20-13-15-8-5-4-6-9-15)12-17-10-14(2)11-18(19)21-17/h4-6,8-9,11,16-17H,3,7,10,12-13H2,1-2H3/t16-,17-/m1/s1
InChIKeyVYZZHNAHLMWYJB-IAGOWNOFSA-N
MW288.39 g/mol
LogP4.02
Rot. Bonds7

About (2R)-4-methyl-2-[(2R)-2-phenylmethoxypentyl]-2,3-dihydropyran-6-one

(2R)-4-methyl-2-[(2R)-2-phenylmethoxypentyl]-2,3-dihydropyran-6-one (PubChem CID 46844681) has the molecular formula C18H24O3 and a molecular weight of 288.39 g/mol. Its IUPAC name is (2R)-4-methyl-2-[(2R)-2-phenylmethoxypentyl]-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2R)-4-methyl-2-[(2R)-2-phenylmethoxypentyl]-2,3-dihydropyran-6-one
PubChem CID46844681
Molecular FormulaC18H24O3
Molecular Weight288.39 g/mol
Exact Mass288.17
IUPAC Name(2R)-4-methyl-2-[(2R)-2-phenylmethoxypentyl]-2,3-dihydropyran-6-one
SMILESCCC[C@H](C[C@H]1CC(C)=CC(=O)O1)OCc1ccccc1
InChIInChI=1S/C18H24O3/c1-3-7-16(20-13-15-8-5-4-6-9-15)12-17-10-14(2)11-18(19)21-17/h4-6,8-9,11,16-17H,3,7,10,12-13H2,1-2H3/t16-,17-/m1/s1
InChIKeyVYZZHNAHLMWYJB-IAGOWNOFSA-N
XLogP4.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

hexan-3-yloxymethylbenzene
CID 20782034
(3S,4S)-3-hexyl-4-[(2S)-2-phenylmethoxyheptyl]oxetan-2-one
CID 11842892
4-(3-phenylmethoxyoctyl)-3,3a,6,6a-tetrahydrofuro[3,2-b]pyrrole-2,5-dione
CID 20530950
2-methyl-1-(3-phenylmethoxyhexyl)pyridin-4-one
CID 69343588
benzyl (2S,6S)-2-(hydroxymethyl)-6-[(2R)-2-phenylmethoxypentyl]piperidine-1-carboxylate
CID 10788528
(3R)-3-phenylmethoxypentan-1-ol
CID 130841649
3-phenylmethoxypentane-1-thiol
CID 21429433
(2R)-4-phenyl-2-(phenylmethoxymethyl)-2,3-dihydropyran-6-one
CID 14667648
2-hydroxy-15-phenylmethoxyoctadecanoic acid
CID 101300451
(2S)-2-[(2R)-2-(methoxymethoxy)-6-phenylhexyl]-2,3-dihydropyran-6-one
CID 11461301
(4R,6R)-6-[(2R)-2-[tert-butyl(diphenyl)silyl]oxypentyl]-4-methyloxan-2-one
CID 46844682
(5S)-5-[(1R,2R)-2-methyl-1-phenylmethoxybutyl]oxolan-2-one
CID 11139931

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-[(2R)-2-phenylmethoxypentyl]-2,3-dihydropyran-6-one?
The IUPAC name of (2R)-4-methyl-2-[(2R)-2-phenylmethoxypentyl]-2,3-dihydropyran-6-one (CID 46844681) is (2R)-4-methyl-2-[(2R)-2-phenylmethoxypentyl]-2,3-dihydropyran-6-one.
What is the SMILES notation for (2R)-4-methyl-2-[(2R)-2-phenylmethoxypentyl]-2,3-dihydropyran-6-one?
The canonical SMILES for (2R)-4-methyl-2-[(2R)-2-phenylmethoxypentyl]-2,3-dihydropyran-6-one is CCC[C@H](C[C@H]1CC(C)=CC(=O)O1)OCc1ccccc1.
What is the InChIKey of (2R)-4-methyl-2-[(2R)-2-phenylmethoxypentyl]-2,3-dihydropyran-6-one?
The InChIKey is VYZZHNAHLMWYJB-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H24O3/c1-3-7-16(20-13-15-8-5-4-6-9-15)12-17-10-14(2)11-18(19)21-17/h4-6,8-9,11,16-17H,3,7,10,12-13H2,1-2H3/t16-,17-/m1/s1.
What are the key properties of (2R)-4-methyl-2-[(2R)-2-phenylmethoxypentyl]-2,3-dihydropyran-6-one?
(2R)-4-methyl-2-[(2R)-2-phenylmethoxypentyl]-2,3-dihydropyran-6-one has a molecular weight of 288.39 g/mol, XLogP of 4.02, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-[(2R)-2-phenylmethoxypentyl]-2,3-dihydropyran-6-one is sourced from PubChem (CID 46844681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).