1-(2,3-dihydrofuran-4-yl)-2-(oxan-2-yl)ethanol

C11H18O3 — CID 130580072

IUPAC1-(2,3-dihydrofuran-4-yl)-2-(oxan-2-yl)ethanol
SMILESOC(CC1CCCCO1)C1=COCC1
InChIInChI=1S/C11H18O3/c12-11(9-4-6-13-8-9)7-10-3-1-2-5-14-10/h8,10-12H,1-7H2
InChIKeyJBBDBZLJJZWUMH-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.61
Rot. Bonds3

About 1-(2,3-dihydrofuran-4-yl)-2-(oxan-2-yl)ethanol

1-(2,3-dihydrofuran-4-yl)-2-(oxan-2-yl)ethanol (PubChem CID 130580072) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 1-(2,3-dihydrofuran-4-yl)-2-(oxan-2-yl)ethanol.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-4-yl)-2-(oxan-2-yl)ethanol
PubChem CID130580072
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name1-(2,3-dihydrofuran-4-yl)-2-(oxan-2-yl)ethanol
SMILESOC(CC1CCCCO1)C1=COCC1
InChIInChI=1S/C11H18O3/c12-11(9-4-6-13-8-9)7-10-3-1-2-5-14-10/h8,10-12H,1-7H2
InChIKeyJBBDBZLJJZWUMH-UHFFFAOYSA-N
XLogP1.61
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.61
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-(3,4-dihydro-2H-pyran-5-yl)-3-(oxolan-2-yl)propan-1-ol
CID 115831545
1-(cycloocten-1-yl)-2-(oxolan-2-yl)ethanol
CID 106657616
1,1,1-trifluoro-3-(oxan-2-yl)propan-2-ol
CID 131515753
1-(2,5-dichlorophenyl)-2-(oxan-2-yl)ethanol
CID 113391319
1-(3,4-dihydro-2H-chromen-8-yl)-2-(oxan-2-yl)ethanol
CID 114744756
1-(3-chloro-4-methylphenyl)-2-(oxan-2-yl)ethanol
CID 107560134
2-(oxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 62791649
1-(4-methylphenyl)-2-(oxolan-2-yl)ethanol
CID 60797370
2-(2,3-dimethylbutyl)oxane
CID 167069415
(2R)-2-amino-3-[(2R)-oxan-2-yl]propan-1-ol;hydrochloride
CID 176655691
(2R)-2-(2-methylpropyl)oxane
CID 58653197

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrofuran-4-yl)-2-(oxan-2-yl)ethanol?
The IUPAC name of 1-(2,3-dihydrofuran-4-yl)-2-(oxan-2-yl)ethanol (CID 130580072) is 1-(2,3-dihydrofuran-4-yl)-2-(oxan-2-yl)ethanol.
What is the SMILES notation for 1-(2,3-dihydrofuran-4-yl)-2-(oxan-2-yl)ethanol?
The canonical SMILES for 1-(2,3-dihydrofuran-4-yl)-2-(oxan-2-yl)ethanol is OC(CC1CCCCO1)C1=COCC1.
What is the InChIKey of 1-(2,3-dihydrofuran-4-yl)-2-(oxan-2-yl)ethanol?
The InChIKey is JBBDBZLJJZWUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c12-11(9-4-6-13-8-9)7-10-3-1-2-5-14-10/h8,10-12H,1-7H2.
What are the key properties of 1-(2,3-dihydrofuran-4-yl)-2-(oxan-2-yl)ethanol?
1-(2,3-dihydrofuran-4-yl)-2-(oxan-2-yl)ethanol has a molecular weight of 198.26 g/mol, XLogP of 1.61, 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-4-yl)-2-(oxan-2-yl)ethanol is sourced from PubChem (CID 130580072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).