(2-methylfuran-3-yl)-(oxolan-3-yl)methanol

C10H14O3 — CID 104789574

IUPAC(2-methylfuran-3-yl)-(oxolan-3-yl)methanol
SMILESCc1occc1C(O)C1CCOC1
InChIInChI=1S/C10H14O3/c1-7-9(3-5-13-7)10(11)8-2-4-12-6-8/h3,5,8,10-11H,2,4,6H2,1H3
InChIKeyNKYRQPKUPBSJFI-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.66
Rot. Bonds2

About (2-methylfuran-3-yl)-(oxolan-3-yl)methanol

(2-methylfuran-3-yl)-(oxolan-3-yl)methanol (PubChem CID 104789574) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is (2-methylfuran-3-yl)-(oxolan-3-yl)methanol.

Molecular Properties

Compound Name(2-methylfuran-3-yl)-(oxolan-3-yl)methanol
PubChem CID104789574
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name(2-methylfuran-3-yl)-(oxolan-3-yl)methanol
SMILESCc1occc1C(O)C1CCOC1
InChIInChI=1S/C10H14O3/c1-7-9(3-5-13-7)10(11)8-2-4-12-6-8/h3,5,8,10-11H,2,4,6H2,1H3
InChIKeyNKYRQPKUPBSJFI-UHFFFAOYSA-N
XLogP1.66
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(2-methylfuran-3-yl)-1-(oxolan-3-yl)methanamine
CID 104789944
(2-methylfuran-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 113453307
(2-fluorophenyl)-(oxolan-3-yl)methanol
CID 63565123
(2-chlorophenyl)-(oxolan-3-yl)methanol
CID 63564171
(2-fluoro-5-methylphenyl)-(oxolan-3-yl)methanol
CID 63893222
oxolan-3-yl-(2,4,5-trimethoxyphenyl)methanol
CID 63896019
(5-methoxy-2-methylphenyl)-(oxolan-3-yl)methanol
CID 175093118
(2-methylfuran-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanol
CID 113453316
oxolan-3-yl-(2,3,4-trifluorophenyl)methanol
CID 63893972
(2,5-dibromophenyl)-(oxolan-3-yl)methanol
CID 61277086
furan-3-yl(oxolan-3-yl)methanol
CID 63894971
(2-bromo-4-methoxyphenyl)-(oxolan-3-yl)methanol
CID 61277701

Frequently Asked Questions

What is the IUPAC name of (2-methylfuran-3-yl)-(oxolan-3-yl)methanol?
The IUPAC name of (2-methylfuran-3-yl)-(oxolan-3-yl)methanol (CID 104789574) is (2-methylfuran-3-yl)-(oxolan-3-yl)methanol.
What is the SMILES notation for (2-methylfuran-3-yl)-(oxolan-3-yl)methanol?
The canonical SMILES for (2-methylfuran-3-yl)-(oxolan-3-yl)methanol is Cc1occc1C(O)C1CCOC1.
What is the InChIKey of (2-methylfuran-3-yl)-(oxolan-3-yl)methanol?
The InChIKey is NKYRQPKUPBSJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-7-9(3-5-13-7)10(11)8-2-4-12-6-8/h3,5,8,10-11H,2,4,6H2,1H3.
What are the key properties of (2-methylfuran-3-yl)-(oxolan-3-yl)methanol?
(2-methylfuran-3-yl)-(oxolan-3-yl)methanol has a molecular weight of 182.22 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylfuran-3-yl)-(oxolan-3-yl)methanol is sourced from PubChem (CID 104789574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).