2-methyl-1-(5-methylfuran-3-yl)butan-1-ol

C10H16O2 — CID 115823362

IUPAC2-methyl-1-(5-methylfuran-3-yl)butan-1-ol
SMILESCCC(C)C(O)c1coc(C)c1
InChIInChI=1S/C10H16O2/c1-4-7(2)10(11)9-5-8(3)12-6-9/h5-7,10-11H,4H2,1-3H3
InChIKeyJMCSEKNBQDEXRD-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.67
Rot. Bonds3

About 2-methyl-1-(5-methylfuran-3-yl)butan-1-ol

2-methyl-1-(5-methylfuran-3-yl)butan-1-ol (PubChem CID 115823362) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-methyl-1-(5-methylfuran-3-yl)butan-1-ol.

Molecular Properties

Compound Name2-methyl-1-(5-methylfuran-3-yl)butan-1-ol
PubChem CID115823362
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2-methyl-1-(5-methylfuran-3-yl)butan-1-ol
SMILESCCC(C)C(O)c1coc(C)c1
InChIInChI=1S/C10H16O2/c1-4-7(2)10(11)9-5-8(3)12-6-9/h5-7,10-11H,4H2,1-3H3
InChIKeyJMCSEKNBQDEXRD-UHFFFAOYSA-N
XLogP2.67
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-(5-methylfuran-3-yl)pentan-1-ol
CID 107894707
1-(5-methylfuran-3-yl)ethanol
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1-(5-methylfuran-3-yl)but-3-ene-1,2-diol
CID 130149487
N-ethyl-1-(5-methylfuran-3-yl)propan-1-amine
CID 114979725
2-methyl-1-(2-methylquinolin-6-yl)butan-1-ol
CID 81215900
1-(3-bromofuran-2-yl)-2-methylbutan-1-ol
CID 63943593
2-methyl-1-(3,4,5-triethoxyphenyl)butan-1-ol
CID 115823357
(2S)-2-amino-2-(5-methylfuran-3-yl)ethanol
CID 96735872
(2-chloro-4,5-diethoxyphenyl)-(5-methylfuran-3-yl)methanol
CID 114822297
[2-methyl-1-(5-methylfuran-3-yl)pentyl]hydrazine
CID 107895903
1-(4-butoxyphenyl)-2-methylbutan-1-ol
CID 105116550
1-(5-methylfuran-3-yl)pent-3-yn-1-ol
CID 115779861

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(5-methylfuran-3-yl)butan-1-ol?
The IUPAC name of 2-methyl-1-(5-methylfuran-3-yl)butan-1-ol (CID 115823362) is 2-methyl-1-(5-methylfuran-3-yl)butan-1-ol.
What is the SMILES notation for 2-methyl-1-(5-methylfuran-3-yl)butan-1-ol?
The canonical SMILES for 2-methyl-1-(5-methylfuran-3-yl)butan-1-ol is CCC(C)C(O)c1coc(C)c1.
What is the InChIKey of 2-methyl-1-(5-methylfuran-3-yl)butan-1-ol?
The InChIKey is JMCSEKNBQDEXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-4-7(2)10(11)9-5-8(3)12-6-9/h5-7,10-11H,4H2,1-3H3.
What are the key properties of 2-methyl-1-(5-methylfuran-3-yl)butan-1-ol?
2-methyl-1-(5-methylfuran-3-yl)butan-1-ol has a molecular weight of 168.24 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(5-methylfuran-3-yl)butan-1-ol is sourced from PubChem (CID 115823362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).