4-(furan-2-ylmethyl)-2-propyloxan-4-ol

C13H20O3 — CID 83171634

IUPAC4-(furan-2-ylmethyl)-2-propyloxan-4-ol
SMILESCCCC1CC(O)(Cc2ccco2)CCO1
InChIInChI=1S/C13H20O3/c1-2-4-11-9-13(14,6-8-16-11)10-12-5-3-7-15-12/h3,5,7,11,14H,2,4,6,8-10H2,1H3
InChIKeyVWHYLVJVHHUGAP-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.53
Rot. Bonds4

About 4-(furan-2-ylmethyl)-2-propyloxan-4-ol

4-(furan-2-ylmethyl)-2-propyloxan-4-ol (PubChem CID 83171634) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 4-(furan-2-ylmethyl)-2-propyloxan-4-ol.

Molecular Properties

Compound Name4-(furan-2-ylmethyl)-2-propyloxan-4-ol
PubChem CID83171634
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name4-(furan-2-ylmethyl)-2-propyloxan-4-ol
SMILESCCCC1CC(O)(Cc2ccco2)CCO1
InChIInChI=1S/C13H20O3/c1-2-4-11-9-13(14,6-8-16-11)10-12-5-3-7-15-12/h3,5,7,11,14H,2,4,6,8-10H2,1H3
InChIKeyVWHYLVJVHHUGAP-UHFFFAOYSA-N
XLogP2.53
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-2-ylmethyl)-4-propylcyclohexan-1-ol
CID 83171205
2-propyl-4-(1,3-thiazol-5-ylmethyl)oxan-4-ol
CID 112641948
1-(furan-2-ylmethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 83171605
3-ethyl-1-(furan-2-ylmethyl)cyclopentan-1-amine
CID 65422690
4-butyl-1-(furan-2-ylmethyl)cyclohexan-1-amine
CID 65020065
4-[(4-bromothiophen-2-yl)methyl]-2-ethyloxan-4-ol
CID 65149472
4-(furan-2-ylmethyl)-1-phenylpiperidin-4-ol
CID 106820831
4-(furan-2-ylmethyl)azepan-4-ol
CID 83685704
2-propyl-4-(5,6,7,8-tetrahydroquinolin-8-yl)oxan-4-ol
CID 79746070
4-(2-methylprop-1-enyl)-2-propyloxan-4-ol
CID 79189913
4-(2-fluoro-3-methoxyphenyl)-2-propyloxan-4-ol
CID 82806552
(4S)-2'-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-ol
CID 104949919

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-ylmethyl)-2-propyloxan-4-ol?
The IUPAC name of 4-(furan-2-ylmethyl)-2-propyloxan-4-ol (CID 83171634) is 4-(furan-2-ylmethyl)-2-propyloxan-4-ol.
What is the SMILES notation for 4-(furan-2-ylmethyl)-2-propyloxan-4-ol?
The canonical SMILES for 4-(furan-2-ylmethyl)-2-propyloxan-4-ol is CCCC1CC(O)(Cc2ccco2)CCO1.
What is the InChIKey of 4-(furan-2-ylmethyl)-2-propyloxan-4-ol?
The InChIKey is VWHYLVJVHHUGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-2-4-11-9-13(14,6-8-16-11)10-12-5-3-7-15-12/h3,5,7,11,14H,2,4,6,8-10H2,1H3.
What are the key properties of 4-(furan-2-ylmethyl)-2-propyloxan-4-ol?
4-(furan-2-ylmethyl)-2-propyloxan-4-ol has a molecular weight of 224.30 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-ylmethyl)-2-propyloxan-4-ol is sourced from PubChem (CID 83171634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).