2-methyl-4-(2-methylpropyl)furan-3-ol

C9H14O2 — CID 91409821

IUPAC2-methyl-4-(2-methylpropyl)furan-3-ol
SMILESCc1occ(CC(C)C)c1O
InChIInChI=1S/C9H14O2/c1-6(2)4-8-5-11-7(3)9(8)10/h5-6,10H,4H2,1-3H3
InChIKeyAOYZWEBECNDSJT-UHFFFAOYSA-N
MW154.21 g/mol
LogP2.49
Rot. Bonds2

About 2-methyl-4-(2-methylpropyl)furan-3-ol

2-methyl-4-(2-methylpropyl)furan-3-ol (PubChem CID 91409821) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-methyl-4-(2-methylpropyl)furan-3-ol.

Molecular Properties

Compound Name2-methyl-4-(2-methylpropyl)furan-3-ol
PubChem CID91409821
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name2-methyl-4-(2-methylpropyl)furan-3-ol
SMILESCc1occ(CC(C)C)c1O
InChIInChI=1S/C9H14O2/c1-6(2)4-8-5-11-7(3)9(8)10/h5-6,10H,4H2,1-3H3
InChIKeyAOYZWEBECNDSJT-UHFFFAOYSA-N
XLogP2.49
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-methylpropyl)furan-3-ol?
The IUPAC name of 2-methyl-4-(2-methylpropyl)furan-3-ol (CID 91409821) is 2-methyl-4-(2-methylpropyl)furan-3-ol.
What is the SMILES notation for 2-methyl-4-(2-methylpropyl)furan-3-ol?
The canonical SMILES for 2-methyl-4-(2-methylpropyl)furan-3-ol is Cc1occ(CC(C)C)c1O.
What is the InChIKey of 2-methyl-4-(2-methylpropyl)furan-3-ol?
The InChIKey is AOYZWEBECNDSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-6(2)4-8-5-11-7(3)9(8)10/h5-6,10H,4H2,1-3H3.
What are the key properties of 2-methyl-4-(2-methylpropyl)furan-3-ol?
2-methyl-4-(2-methylpropyl)furan-3-ol has a molecular weight of 154.21 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-methylpropyl)furan-3-ol is sourced from PubChem (CID 91409821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).