3-propyl-2H-pyran-2-ol

C8H12O2 — CID 151523865

IUPAC3-propyl-2H-pyran-2-ol
SMILESCCCC1=CC=COC1O
InChIInChI=1S/C8H12O2/c1-2-4-7-5-3-6-10-8(7)9/h3,5-6,8-9H,2,4H2,1H3
InChIKeyPVAKIKWBZYWXKS-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.58
Rot. Bonds2

About 3-propyl-2H-pyran-2-ol

3-propyl-2H-pyran-2-ol (PubChem CID 151523865) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 3-propyl-2H-pyran-2-ol.

Molecular Properties

Compound Name3-propyl-2H-pyran-2-ol
PubChem CID151523865
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name3-propyl-2H-pyran-2-ol
SMILESCCCC1=CC=COC1O
InChIInChI=1S/C8H12O2/c1-2-4-7-5-3-6-10-8(7)9/h3,5-6,8-9H,2,4H2,1H3
InChIKeyPVAKIKWBZYWXKS-UHFFFAOYSA-N
XLogP1.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-propyl-2H-pyran-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-propyl-2H-pyran-2-ol?
The IUPAC name of 3-propyl-2H-pyran-2-ol (CID 151523865) is 3-propyl-2H-pyran-2-ol.
What is the SMILES notation for 3-propyl-2H-pyran-2-ol?
The canonical SMILES for 3-propyl-2H-pyran-2-ol is CCCC1=CC=COC1O.
What is the InChIKey of 3-propyl-2H-pyran-2-ol?
The InChIKey is PVAKIKWBZYWXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-2-4-7-5-3-6-10-8(7)9/h3,5-6,8-9H,2,4H2,1H3.
What are the key properties of 3-propyl-2H-pyran-2-ol?
3-propyl-2H-pyran-2-ol has a molecular weight of 140.18 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-2H-pyran-2-ol is sourced from PubChem (CID 151523865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).