6-[(1S)-1-hydroxypropyl]-4-methoxy-5-methyl-2H-pyran-2-ol

C10H16O4 — CID 44566906

IUPAC6-[(1S)-1-hydroxypropyl]-4-methoxy-5-methyl-2H-pyran-2-ol
SMILESCC[C@H](O)C1=C(C)C(OC)=CC(O)O1
InChIInChI=1S/C10H16O4/c1-4-7(11)10-6(2)8(13-3)5-9(12)14-10/h5,7,9,11-12H,4H2,1-3H3/t7-,9?/m0/s1
InChIKeyIEUUNRGQIOVSTM-JAVCKPHESA-N
MW200.23 g/mol
LogP0.91
Rot. Bonds3

About 6-[(1S)-1-hydroxypropyl]-4-methoxy-5-methyl-2H-pyran-2-ol

6-[(1S)-1-hydroxypropyl]-4-methoxy-5-methyl-2H-pyran-2-ol (PubChem CID 44566906) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 6-[(1S)-1-hydroxypropyl]-4-methoxy-5-methyl-2H-pyran-2-ol.

Molecular Properties

Compound Name6-[(1S)-1-hydroxypropyl]-4-methoxy-5-methyl-2H-pyran-2-ol
PubChem CID44566906
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name6-[(1S)-1-hydroxypropyl]-4-methoxy-5-methyl-2H-pyran-2-ol
SMILESCC[C@H](O)C1=C(C)C(OC)=CC(O)O1
InChIInChI=1S/C10H16O4/c1-4-7(11)10-6(2)8(13-3)5-9(12)14-10/h5,7,9,11-12H,4H2,1-3H3/t7-,9?/m0/s1
InChIKeyIEUUNRGQIOVSTM-JAVCKPHESA-N
XLogP0.91
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(1S)-1-hydroxypropyl]-4-methoxy-5-methyl-2H-pyran-2-ol?
The IUPAC name of 6-[(1S)-1-hydroxypropyl]-4-methoxy-5-methyl-2H-pyran-2-ol (CID 44566906) is 6-[(1S)-1-hydroxypropyl]-4-methoxy-5-methyl-2H-pyran-2-ol.
What is the SMILES notation for 6-[(1S)-1-hydroxypropyl]-4-methoxy-5-methyl-2H-pyran-2-ol?
The canonical SMILES for 6-[(1S)-1-hydroxypropyl]-4-methoxy-5-methyl-2H-pyran-2-ol is CC[C@H](O)C1=C(C)C(OC)=CC(O)O1.
What is the InChIKey of 6-[(1S)-1-hydroxypropyl]-4-methoxy-5-methyl-2H-pyran-2-ol?
The InChIKey is IEUUNRGQIOVSTM-JAVCKPHESA-N. The full InChI is InChI=1S/C10H16O4/c1-4-7(11)10-6(2)8(13-3)5-9(12)14-10/h5,7,9,11-12H,4H2,1-3H3/t7-,9?/m0/s1.
What are the key properties of 6-[(1S)-1-hydroxypropyl]-4-methoxy-5-methyl-2H-pyran-2-ol?
6-[(1S)-1-hydroxypropyl]-4-methoxy-5-methyl-2H-pyran-2-ol has a molecular weight of 200.23 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1S)-1-hydroxypropyl]-4-methoxy-5-methyl-2H-pyran-2-ol is sourced from PubChem (CID 44566906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).