2-(2-hydroxypropyl)-3-methyl-2,3-dihydropyran-6-one

C9H14O3 — CID 130145201

IUPAC2-(2-hydroxypropyl)-3-methyl-2,3-dihydropyran-6-one
SMILESCC(O)CC1OC(=O)C=CC1C
InChIInChI=1S/C9H14O3/c1-6-3-4-9(11)12-8(6)5-7(2)10/h3-4,6-8,10H,5H2,1-2H3
InChIKeyQLGFYHJLTQPHNB-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.88
Rot. Bonds2

About 2-(2-hydroxypropyl)-3-methyl-2,3-dihydropyran-6-one

2-(2-hydroxypropyl)-3-methyl-2,3-dihydropyran-6-one (PubChem CID 130145201) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2-(2-hydroxypropyl)-3-methyl-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name2-(2-hydroxypropyl)-3-methyl-2,3-dihydropyran-6-one
PubChem CID130145201
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name2-(2-hydroxypropyl)-3-methyl-2,3-dihydropyran-6-one
SMILESCC(O)CC1OC(=O)C=CC1C
InChIInChI=1S/C9H14O3/c1-6-3-4-9(11)12-8(6)5-7(2)10/h3-4,6-8,10H,5H2,1-2H3
InChIKeyQLGFYHJLTQPHNB-UHFFFAOYSA-N
XLogP0.88
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-2-[(E,2R,3S,4R,5S)-2-hydroxy-4-methoxy-3,5-dimethylnon-7-enyl]-3-methyl-2,3-dihydropyran-6-one
CID 163838952
(2R,3S)-2,3-dimethyl-2,3-dihydropyran-6-one
CID 14056133
(2S,3R)-3-hydroxy-2-methyl-2,3-dihydropyran-6-one
CID 10080412
2-(2-fluoro-1-hydroxy-2-phenylethyl)-3-methyl-2,3-dihydropyran-6-one
CID 129252172
3-hydroxy-2-(2,4,6,8-tetrahydroxytricosyl)-2,3-dihydropyran-6-one
CID 75995977
(2S,3S)-3-hydroxy-2-[(E,2R,4R,6S)-2,4,6-trihydroxy-8-phenyloct-7-enyl]-2,3-dihydropyran-6-one
CID 127030351
(3R)-2-[(E,3S,5S)-2,4-dihydroxy-3,5-dimethylnon-7-enyl]-3-ethyl-2,3-dihydropyran-6-one
CID 162882501
2-(3-methyl-2-methylidenebutyl)-2H-furan-5-one
CID 544001
2-(2-hydroxypropyl)-2,5-dihydropyran-6-one
CID 130142582
(2R)-2-[(6S,7S)-7-hydroxy-6-methyloctyl]-2H-furan-5-one
CID 100582847
(2S)-2-[(1S,3R)-1-hydroxy-3-methyl-5-oxohexyl]-2H-furan-5-one
CID 135044590
(2R,6R,7Z,11S,12R,13Z)-12-hydroxy-6-[(1S)-1-hydroxyethyl]-2,11-dimethyl-1,5,10-trioxacyclopentadeca-7,13-diene-4,9,15-trione
CID 163065425

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypropyl)-3-methyl-2,3-dihydropyran-6-one?
The IUPAC name of 2-(2-hydroxypropyl)-3-methyl-2,3-dihydropyran-6-one (CID 130145201) is 2-(2-hydroxypropyl)-3-methyl-2,3-dihydropyran-6-one.
What is the SMILES notation for 2-(2-hydroxypropyl)-3-methyl-2,3-dihydropyran-6-one?
The canonical SMILES for 2-(2-hydroxypropyl)-3-methyl-2,3-dihydropyran-6-one is CC(O)CC1OC(=O)C=CC1C.
What is the InChIKey of 2-(2-hydroxypropyl)-3-methyl-2,3-dihydropyran-6-one?
The InChIKey is QLGFYHJLTQPHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-6-3-4-9(11)12-8(6)5-7(2)10/h3-4,6-8,10H,5H2,1-2H3.
What are the key properties of 2-(2-hydroxypropyl)-3-methyl-2,3-dihydropyran-6-one?
2-(2-hydroxypropyl)-3-methyl-2,3-dihydropyran-6-one has a molecular weight of 170.21 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxypropyl)-3-methyl-2,3-dihydropyran-6-one is sourced from PubChem (CID 130145201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).