2-(2,5-dimethylfuran-3-yl)propan-2-ol

C9H14O2 — CID 14028610

IUPAC2-(2,5-dimethylfuran-3-yl)propan-2-ol
SMILESCc1cc(C(C)(C)O)c(C)o1
InChIInChI=1S/C9H14O2/c1-6-5-8(7(2)11-6)9(3,4)10/h5,10H,1-4H3
InChIKeyWHNFHFXJESETFD-UHFFFAOYSA-N
MW154.21 g/mol
LogP2.12
Rot. Bonds1

About 2-(2,5-dimethylfuran-3-yl)propan-2-ol

2-(2,5-dimethylfuran-3-yl)propan-2-ol (PubChem CID 14028610) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-(2,5-dimethylfuran-3-yl)propan-2-ol.

Molecular Properties

Compound Name2-(2,5-dimethylfuran-3-yl)propan-2-ol
PubChem CID14028610
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name2-(2,5-dimethylfuran-3-yl)propan-2-ol
SMILESCc1cc(C(C)(C)O)c(C)o1
InChIInChI=1S/C9H14O2/c1-6-5-8(7(2)11-6)9(3,4)10/h5,10H,1-4H3
InChIKeyWHNFHFXJESETFD-UHFFFAOYSA-N
XLogP2.12
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylfuran-3-yl)propan-2-ol?
The IUPAC name of 2-(2,5-dimethylfuran-3-yl)propan-2-ol (CID 14028610) is 2-(2,5-dimethylfuran-3-yl)propan-2-ol.
What is the SMILES notation for 2-(2,5-dimethylfuran-3-yl)propan-2-ol?
The canonical SMILES for 2-(2,5-dimethylfuran-3-yl)propan-2-ol is Cc1cc(C(C)(C)O)c(C)o1.
What is the InChIKey of 2-(2,5-dimethylfuran-3-yl)propan-2-ol?
The InChIKey is WHNFHFXJESETFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-6-5-8(7(2)11-6)9(3,4)10/h5,10H,1-4H3.
What are the key properties of 2-(2,5-dimethylfuran-3-yl)propan-2-ol?
2-(2,5-dimethylfuran-3-yl)propan-2-ol has a molecular weight of 154.21 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylfuran-3-yl)propan-2-ol is sourced from PubChem (CID 14028610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).