6-(1-hydroxyethyl)-4-methoxypyran-2-one

C8H10O4 — CID 102476173

IUPAC6-(1-hydroxyethyl)-4-methoxypyran-2-one
SMILESCOc1cc(C(C)O)oc(=O)c1
InChIInChI=1S/C8H10O4/c1-5(9)7-3-6(11-2)4-8(10)12-7/h3-5,9H,1-2H3
InChIKeyZNHXQNPNLZSOHO-UHFFFAOYSA-N
MW170.16 g/mol
LogP0.70
Rot. Bonds2

About 6-(1-hydroxyethyl)-4-methoxypyran-2-one

6-(1-hydroxyethyl)-4-methoxypyran-2-one (PubChem CID 102476173) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is 6-(1-hydroxyethyl)-4-methoxypyran-2-one.

Molecular Properties

Compound Name6-(1-hydroxyethyl)-4-methoxypyran-2-one
PubChem CID102476173
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Name6-(1-hydroxyethyl)-4-methoxypyran-2-one
SMILESCOc1cc(C(C)O)oc(=O)c1
InChIInChI=1S/C8H10O4/c1-5(9)7-3-6(11-2)4-8(10)12-7/h3-5,9H,1-2H3
InChIKeyZNHXQNPNLZSOHO-UHFFFAOYSA-N
XLogP0.70
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Stemphypyrone
CID 24041595
5-hydroxy-4-methoxy-5,6-dihydro-2H-pyran-2-one
CID 56773935
Annularin A
CID 637272
Hydroxypestalopyrone
CID 44587537
Opuntiol
CID 10034839
6-[(1R)-1-Hydroxypentyl]-4-methoxy-2H-pyran-2-one
CID 23872095
Pyrenocine R
CID 134143541
2H-Pyran-2-one, 5-(hydroxymethyl)-6-[(1S)-1-hydroxypropyl]-4-methoxy-
CID 10104673
(-)-annularin C
CID 146684062
6-(4-Hydroxypent-2-en-2-yl)-4-methoxy-3-methylpyran-2-one
CID 74169052
6-(4-Hydroxybut-2-en-2-yl)-4-methoxypyran-2-one
CID 75053278
Nectriapyrone D
CID 135563708

Frequently Asked Questions

What is the IUPAC name of 6-(1-hydroxyethyl)-4-methoxypyran-2-one?
The IUPAC name of 6-(1-hydroxyethyl)-4-methoxypyran-2-one (CID 102476173) is 6-(1-hydroxyethyl)-4-methoxypyran-2-one.
What is the SMILES notation for 6-(1-hydroxyethyl)-4-methoxypyran-2-one?
The canonical SMILES for 6-(1-hydroxyethyl)-4-methoxypyran-2-one is COc1cc(C(C)O)oc(=O)c1.
What is the InChIKey of 6-(1-hydroxyethyl)-4-methoxypyran-2-one?
The InChIKey is ZNHXQNPNLZSOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O4/c1-5(9)7-3-6(11-2)4-8(10)12-7/h3-5,9H,1-2H3.
What are the key properties of 6-(1-hydroxyethyl)-4-methoxypyran-2-one?
6-(1-hydroxyethyl)-4-methoxypyran-2-one has a molecular weight of 170.16 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-hydroxyethyl)-4-methoxypyran-2-one is sourced from PubChem (CID 102476173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).