1-(3,4-dihydro-2H-pyran-5-yl)-3-(oxolan-2-yl)propan-1-ol

C12H20O3 — CID 115831545

IUPAC1-(3,4-dihydro-2H-pyran-5-yl)-3-(oxolan-2-yl)propan-1-ol
SMILESOC(CCC1CCCO1)C1=COCCC1
InChIInChI=1S/C12H20O3/c13-12(10-3-1-7-14-9-10)6-5-11-4-2-8-15-11/h9,11-13H,1-8H2
InChIKeyNNJVVZWPBHVLAS-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.00
Rot. Bonds4

About 1-(3,4-dihydro-2H-pyran-5-yl)-3-(oxolan-2-yl)propan-1-ol

1-(3,4-dihydro-2H-pyran-5-yl)-3-(oxolan-2-yl)propan-1-ol (PubChem CID 115831545) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-5-yl)-3-(oxolan-2-yl)propan-1-ol.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-5-yl)-3-(oxolan-2-yl)propan-1-ol
PubChem CID115831545
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name1-(3,4-dihydro-2H-pyran-5-yl)-3-(oxolan-2-yl)propan-1-ol
SMILESOC(CCC1CCCO1)C1=COCCC1
InChIInChI=1S/C12H20O3/c13-12(10-3-1-7-14-9-10)6-5-11-4-2-8-15-11/h9,11-13H,1-8H2
InChIKeyNNJVVZWPBHVLAS-UHFFFAOYSA-N
XLogP2.00
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydrofuran-4-yl)-2-(oxolan-2-yl)ethanol
CID 130580079
1-(2,3-dihydrofuran-4-yl)-2-(oxan-2-yl)ethanol
CID 130580072
3-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)propan-1-ol
CID 65160613
1-(2,3-difluoro-4-methylphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 107516231
1-(5-bromofuran-2-yl)-3-(oxolan-2-yl)propan-1-ol
CID 65162067
1-(3-bromophenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65161913
1-(3,4-dihydro-2H-pyran-5-yl)-3-ethylsulfanylpropan-1-ol
CID 116504683
1-(4-bromonaphthalen-1-yl)-3-(oxolan-2-yl)propan-1-ol
CID 79597707
1-(4-methoxyphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65160366
3-(oxolan-2-yl)-1-pyridin-2-ylpropan-1-ol
CID 65161757
3-(oxolan-2-yl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)propan-1-ol
CID 115809348
1-(2,4-difluoro-5-methylphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 79730679

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-3-(oxolan-2-yl)propan-1-ol?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-3-(oxolan-2-yl)propan-1-ol (CID 115831545) is 1-(3,4-dihydro-2H-pyran-5-yl)-3-(oxolan-2-yl)propan-1-ol.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-5-yl)-3-(oxolan-2-yl)propan-1-ol?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-5-yl)-3-(oxolan-2-yl)propan-1-ol is OC(CCC1CCCO1)C1=COCCC1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-5-yl)-3-(oxolan-2-yl)propan-1-ol?
The InChIKey is NNJVVZWPBHVLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c13-12(10-3-1-7-14-9-10)6-5-11-4-2-8-15-11/h9,11-13H,1-8H2.
What are the key properties of 1-(3,4-dihydro-2H-pyran-5-yl)-3-(oxolan-2-yl)propan-1-ol?
1-(3,4-dihydro-2H-pyran-5-yl)-3-(oxolan-2-yl)propan-1-ol has a molecular weight of 212.29 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-5-yl)-3-(oxolan-2-yl)propan-1-ol is sourced from PubChem (CID 115831545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).