1-(furan-3-yl)-3-methoxy-4-methylpentan-2-ol

C11H18O3 — CID 116711977

IUPAC1-(furan-3-yl)-3-methoxy-4-methylpentan-2-ol
SMILESCOC(C(C)C)C(O)Cc1ccoc1
InChIInChI=1S/C11H18O3/c1-8(2)11(13-3)10(12)6-9-4-5-14-7-9/h4-5,7-8,10-12H,6H2,1-3H3
InChIKeyUBDNZZORTHEALB-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.85
Rot. Bonds5

About 1-(furan-3-yl)-3-methoxy-4-methylpentan-2-ol

1-(furan-3-yl)-3-methoxy-4-methylpentan-2-ol (PubChem CID 116711977) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 1-(furan-3-yl)-3-methoxy-4-methylpentan-2-ol.

Molecular Properties

Compound Name1-(furan-3-yl)-3-methoxy-4-methylpentan-2-ol
PubChem CID116711977
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name1-(furan-3-yl)-3-methoxy-4-methylpentan-2-ol
SMILESCOC(C(C)C)C(O)Cc1ccoc1
InChIInChI=1S/C11H18O3/c1-8(2)11(13-3)10(12)6-9-4-5-14-7-9/h4-5,7-8,10-12H,6H2,1-3H3
InChIKeyUBDNZZORTHEALB-UHFFFAOYSA-N
XLogP1.85
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(furan-3-yl)-3-methylbutan-2-ol
CID 83182885
1-(furan-3-yl)butan-2-ol
CID 83171486
2-(furan-3-yl)-1-(4-propan-2-ylphenyl)ethanol
CID 83173147
2-(furan-3-ylmethyl)-3-methylbutanoic acid
CID 83173003
1,2-bis(furan-3-yl)ethanol
CID 83172033
1-(2-chlorophenyl)-3-methoxy-4-methylpentan-2-ol
CID 116711926
3-(furan-3-yl)-2-methylpropan-1-amine
CID 64666648
1-cyclohexyl-3-(furan-3-yl)propane-1,2-diol
CID 103458978
1-(furan-3-yl)-3-(4-methylphenyl)propan-2-ol
CID 83171853
1-(furan-3-yl)propane-2-sulfonamide
CID 150211021
2-(furan-3-yl)-1-(4-methylphenyl)ethanol
CID 11206462
1-(furan-3-ylmethoxy)propan-2-ol
CID 54244797

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)-3-methoxy-4-methylpentan-2-ol?
The IUPAC name of 1-(furan-3-yl)-3-methoxy-4-methylpentan-2-ol (CID 116711977) is 1-(furan-3-yl)-3-methoxy-4-methylpentan-2-ol.
What is the SMILES notation for 1-(furan-3-yl)-3-methoxy-4-methylpentan-2-ol?
The canonical SMILES for 1-(furan-3-yl)-3-methoxy-4-methylpentan-2-ol is COC(C(C)C)C(O)Cc1ccoc1.
What is the InChIKey of 1-(furan-3-yl)-3-methoxy-4-methylpentan-2-ol?
The InChIKey is UBDNZZORTHEALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-8(2)11(13-3)10(12)6-9-4-5-14-7-9/h4-5,7-8,10-12H,6H2,1-3H3.
What are the key properties of 1-(furan-3-yl)-3-methoxy-4-methylpentan-2-ol?
1-(furan-3-yl)-3-methoxy-4-methylpentan-2-ol has a molecular weight of 198.26 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)-3-methoxy-4-methylpentan-2-ol is sourced from PubChem (CID 116711977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).