1-(furan-2-yl)-2-methylbutane-1,3-diol

C9H14O3 — CID 72990739

IUPAC1-(furan-2-yl)-2-methylbutane-1,3-diol
SMILESCC(O)C(C)C(O)c1ccco1
InChIInChI=1S/C9H14O3/c1-6(7(2)10)9(11)8-4-3-5-12-8/h3-7,9-11H,1-2H3
InChIKeyQUXDZLYRDVSRPU-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.33
Rot. Bonds3

About 1-(furan-2-yl)-2-methylbutane-1,3-diol

1-(furan-2-yl)-2-methylbutane-1,3-diol (PubChem CID 72990739) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-methylbutane-1,3-diol.

Molecular Properties

Compound Name1-(furan-2-yl)-2-methylbutane-1,3-diol
PubChem CID72990739
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name1-(furan-2-yl)-2-methylbutane-1,3-diol
SMILESCC(O)C(C)C(O)c1ccco1
InChIInChI=1S/C9H14O3/c1-6(7(2)10)9(11)8-4-3-5-12-8/h3-7,9-11H,1-2H3
InChIKeyQUXDZLYRDVSRPU-UHFFFAOYSA-N
XLogP1.33
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(furan-2-yl)-2-methylbutane-1,3-diol with MolForge

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

Launch Full Analysis

Related Compounds

1,3-bis(furan-2-yl)propane-1,2,3-triol
CID 70525722
(1R,2R)-1-(furan-2-yl)-2-methylpropane-1,3-diol
CID 11957999
4-(furan-2-yl)-4-hydroxy-3-methylbutan-2-one
CID 14223499
(1S,2R)-1-(furan-2-yl)-2-nitropropan-1-ol
CID 44604534
3-(dimethylamino)-1-(furan-2-yl)-2-methylpropan-1-ol
CID 175069867
1-(furan-2-yl)pentane-1,3,4-triol
CID 175602784
(1S,3S)-1-(furan-2-yl)butane-1,3-diol
CID 46177371
1-(furan-2-yl)-2,2-diphenylethanol
CID 63947549
1-(furan-2-yl)-2-methyloctan-1-ol
CID 44721006
1-(furan-2-yl)-3-methyl-2-phenylpentan-1-ol
CID 115797403
1-(furan-2-yl)-2-phenylbutan-1-ol
CID 115797511
(1R,3R)-3-amino-1-(furan-2-yl)butan-1-ol
CID 95975775

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2-methylbutane-1,3-diol?
The IUPAC name of 1-(furan-2-yl)-2-methylbutane-1,3-diol (CID 72990739) is 1-(furan-2-yl)-2-methylbutane-1,3-diol.
What is the SMILES notation for 1-(furan-2-yl)-2-methylbutane-1,3-diol?
The canonical SMILES for 1-(furan-2-yl)-2-methylbutane-1,3-diol is CC(O)C(C)C(O)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-2-methylbutane-1,3-diol?
The InChIKey is QUXDZLYRDVSRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-6(7(2)10)9(11)8-4-3-5-12-8/h3-7,9-11H,1-2H3.
What are the key properties of 1-(furan-2-yl)-2-methylbutane-1,3-diol?
1-(furan-2-yl)-2-methylbutane-1,3-diol has a molecular weight of 170.21 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-2-methylbutane-1,3-diol is sourced from PubChem (CID 72990739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).