2-(hydroxymethyl)-6-methyl-2,3-dihydropyran-4-one

C7H10O3 — CID 85092481

IUPAC2-(hydroxymethyl)-6-methyl-2,3-dihydropyran-4-one
SMILESCC1=CC(=O)CC(CO)O1
InChIInChI=1S/C7H10O3/c1-5-2-6(9)3-7(4-8)10-5/h2,7-8H,3-4H2,1H3
InChIKeyULVSURGNEAHOBK-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.24
Rot. Bonds1

About 2-(hydroxymethyl)-6-methyl-2,3-dihydropyran-4-one

2-(hydroxymethyl)-6-methyl-2,3-dihydropyran-4-one (PubChem CID 85092481) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 2-(hydroxymethyl)-6-methyl-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name2-(hydroxymethyl)-6-methyl-2,3-dihydropyran-4-one
PubChem CID85092481
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name2-(hydroxymethyl)-6-methyl-2,3-dihydropyran-4-one
SMILESCC1=CC(=O)CC(CO)O1
InChIInChI=1S/C7H10O3/c1-5-2-6(9)3-7(4-8)10-5/h2,7-8H,3-4H2,1H3
InChIKeyULVSURGNEAHOBK-UHFFFAOYSA-N
XLogP0.24
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Erinapyrone B
CID 10011999
Erinapyrone A
CID 10396933
6-(Hydroxymethyl)-2-methyl-2,3-dihydropyran-4-one
CID 45083461
Ethyl 1-(1,1-dioxido-1,2-benzisothiazol-3-yl)-4-piperidinecarboxylate
CID 529485
4-Hydroxy-3-methoxycyclopent-2-en-1-one
CID 13057910
6,7-Dihydroxyhept-2-en-4-one
CID 57268041
3-Hydroxy-2-(hydroxymethyl)-6-methyl-2,3-dihydropyran-4-one
CID 70002642
3-Hydroxy-2-(hydroxymethyl)-6-methyl-2,3-dihydropyran-4-one
CID 70002642
3-Ethoxy-4-hydroxycyclopent-2-en-1-one
CID 130029490

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-6-methyl-2,3-dihydropyran-4-one?
The IUPAC name of 2-(hydroxymethyl)-6-methyl-2,3-dihydropyran-4-one (CID 85092481) is 2-(hydroxymethyl)-6-methyl-2,3-dihydropyran-4-one.
What is the SMILES notation for 2-(hydroxymethyl)-6-methyl-2,3-dihydropyran-4-one?
The canonical SMILES for 2-(hydroxymethyl)-6-methyl-2,3-dihydropyran-4-one is CC1=CC(=O)CC(CO)O1.
What is the InChIKey of 2-(hydroxymethyl)-6-methyl-2,3-dihydropyran-4-one?
The InChIKey is ULVSURGNEAHOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-5-2-6(9)3-7(4-8)10-5/h2,7-8H,3-4H2,1H3.
What are the key properties of 2-(hydroxymethyl)-6-methyl-2,3-dihydropyran-4-one?
2-(hydroxymethyl)-6-methyl-2,3-dihydropyran-4-one has a molecular weight of 142.15 g/mol, XLogP of 0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-6-methyl-2,3-dihydropyran-4-one is sourced from PubChem (CID 85092481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).