1-(2,3-dihydrofuran-5-yl)-2-methoxypropan-1-ol

C8H14O3 — CID 102653906

IUPAC1-(2,3-dihydrofuran-5-yl)-2-methoxypropan-1-ol
SMILESCOC(C)C(O)C1=CCCO1
InChIInChI=1S/C8H14O3/c1-6(10-2)8(9)7-4-3-5-11-7/h4,6,8-9H,3,5H2,1-2H3
InChIKeyCIBGXFFWLXKHAM-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.69
Rot. Bonds3

About 1-(2,3-dihydrofuran-5-yl)-2-methoxypropan-1-ol

1-(2,3-dihydrofuran-5-yl)-2-methoxypropan-1-ol (PubChem CID 102653906) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 1-(2,3-dihydrofuran-5-yl)-2-methoxypropan-1-ol.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-5-yl)-2-methoxypropan-1-ol
PubChem CID102653906
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name1-(2,3-dihydrofuran-5-yl)-2-methoxypropan-1-ol
SMILESCOC(C)C(O)C1=CCCO1
InChIInChI=1S/C8H14O3/c1-6(10-2)8(9)7-4-3-5-11-7/h4,6,8-9H,3,5H2,1-2H3
InChIKeyCIBGXFFWLXKHAM-UHFFFAOYSA-N
XLogP0.69
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrofuran-5-yl)-2-methoxypropan-1-ol?
The IUPAC name of 1-(2,3-dihydrofuran-5-yl)-2-methoxypropan-1-ol (CID 102653906) is 1-(2,3-dihydrofuran-5-yl)-2-methoxypropan-1-ol.
What is the SMILES notation for 1-(2,3-dihydrofuran-5-yl)-2-methoxypropan-1-ol?
The canonical SMILES for 1-(2,3-dihydrofuran-5-yl)-2-methoxypropan-1-ol is COC(C)C(O)C1=CCCO1.
What is the InChIKey of 1-(2,3-dihydrofuran-5-yl)-2-methoxypropan-1-ol?
The InChIKey is CIBGXFFWLXKHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-6(10-2)8(9)7-4-3-5-11-7/h4,6,8-9H,3,5H2,1-2H3.
What are the key properties of 1-(2,3-dihydrofuran-5-yl)-2-methoxypropan-1-ol?
1-(2,3-dihydrofuran-5-yl)-2-methoxypropan-1-ol has a molecular weight of 158.20 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydrofuran-5-yl)-2-methoxypropan-1-ol is sourced from PubChem (CID 102653906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).