4-tert-butylfuran-3-ol

C8H12O2 — CID 18735574

IUPAC4-tert-butylfuran-3-ol
SMILESCC(C)(C)c1cocc1O
InChIInChI=1S/C8H12O2/c1-8(2,3)6-4-10-5-7(6)9/h4-5,9H,1-3H3
InChIKeyLQNDWFXDHGLVNP-UHFFFAOYSA-N
MW140.18 g/mol
LogP2.28
Rot. Bonds

About 4-tert-butylfuran-3-ol

4-tert-butylfuran-3-ol (PubChem CID 18735574) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 4-tert-butylfuran-3-ol.

Molecular Properties

Compound Name4-tert-butylfuran-3-ol
PubChem CID18735574
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name4-tert-butylfuran-3-ol
SMILESCC(C)(C)c1cocc1O
InChIInChI=1S/C8H12O2/c1-8(2,3)6-4-10-5-7(6)9/h4-5,9H,1-3H3
InChIKeyLQNDWFXDHGLVNP-UHFFFAOYSA-N
XLogP2.28
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butylfuran-3-ol?
The IUPAC name of 4-tert-butylfuran-3-ol (CID 18735574) is 4-tert-butylfuran-3-ol.
What is the SMILES notation for 4-tert-butylfuran-3-ol?
The canonical SMILES for 4-tert-butylfuran-3-ol is CC(C)(C)c1cocc1O.
What is the InChIKey of 4-tert-butylfuran-3-ol?
The InChIKey is LQNDWFXDHGLVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-8(2,3)6-4-10-5-7(6)9/h4-5,9H,1-3H3.
What are the key properties of 4-tert-butylfuran-3-ol?
4-tert-butylfuran-3-ol has a molecular weight of 140.18 g/mol, XLogP of 2.28, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylfuran-3-ol is sourced from PubChem (CID 18735574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).