2-(5-methylfuran-2-yl)propan-2-ol

C8H12O2 — CID 10964596

IUPAC2-(5-methylfuran-2-yl)propan-2-ol
SMILESCc1ccc(C(C)(C)O)o1
InChIInChI=1S/C8H12O2/c1-6-4-5-7(10-6)8(2,3)9/h4-5,9H,1-3H3
InChIKeyXXMJEVAPHZUYBO-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.82
Rot. Bonds1

About 2-(5-methylfuran-2-yl)propan-2-ol

2-(5-methylfuran-2-yl)propan-2-ol (PubChem CID 10964596) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 2-(5-methylfuran-2-yl)propan-2-ol.

Molecular Properties

Compound Name2-(5-methylfuran-2-yl)propan-2-ol
PubChem CID10964596
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name2-(5-methylfuran-2-yl)propan-2-ol
SMILESCc1ccc(C(C)(C)O)o1
InChIInChI=1S/C8H12O2/c1-6-4-5-7(10-6)8(2,3)9/h4-5,9H,1-3H3
InChIKeyXXMJEVAPHZUYBO-UHFFFAOYSA-N
XLogP1.82
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylfuran-2-yl)propan-2-ol?
The IUPAC name of 2-(5-methylfuran-2-yl)propan-2-ol (CID 10964596) is 2-(5-methylfuran-2-yl)propan-2-ol.
What is the SMILES notation for 2-(5-methylfuran-2-yl)propan-2-ol?
The canonical SMILES for 2-(5-methylfuran-2-yl)propan-2-ol is Cc1ccc(C(C)(C)O)o1.
What is the InChIKey of 2-(5-methylfuran-2-yl)propan-2-ol?
The InChIKey is XXMJEVAPHZUYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-6-4-5-7(10-6)8(2,3)9/h4-5,9H,1-3H3.
What are the key properties of 2-(5-methylfuran-2-yl)propan-2-ol?
2-(5-methylfuran-2-yl)propan-2-ol has a molecular weight of 140.18 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylfuran-2-yl)propan-2-ol is sourced from PubChem (CID 10964596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).