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

C10H14O3 — CID 123810880

IUPAC(5-methylfuran-2-yl)-(oxolan-2-yl)methanol
SMILESCc1ccc(C(O)C2CCCO2)o1
InChIInChI=1S/C10H14O3/c1-7-4-5-9(13-7)10(11)8-3-2-6-12-8/h4-5,8,10-11H,2-3,6H2,1H3
InChIKeyNFQHXWKBRIELSF-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.80
Rot. Bonds2

About (5-methylfuran-2-yl)-(oxolan-2-yl)methanol

(5-methylfuran-2-yl)-(oxolan-2-yl)methanol (PubChem CID 123810880) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is (5-methylfuran-2-yl)-(oxolan-2-yl)methanol.

Molecular Properties

Compound Name(5-methylfuran-2-yl)-(oxolan-2-yl)methanol
PubChem CID123810880
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name(5-methylfuran-2-yl)-(oxolan-2-yl)methanol
SMILESCc1ccc(C(O)C2CCCO2)o1
InChIInChI=1S/C10H14O3/c1-7-4-5-9(13-7)10(11)8-3-2-6-12-8/h4-5,8,10-11H,2-3,6H2,1H3
InChIKeyNFQHXWKBRIELSF-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-dimethylphenyl)-(oxolan-2-yl)methanol
CID 65331478
oxolan-2-yl-(2,3,5,6-tetramethylphenyl)methanol
CID 61086801
(4-fluoro-2,6-dimethylphenyl)-(oxolan-2-yl)methanol
CID 106879508
oxolan-2-yl(thiophen-2-yl)methanol
CID 61087499
oxolan-2-yl(thiophen-3-yl)methanol
CID 65331077
(3,4-diethylphenyl)-(oxolan-2-yl)methanol
CID 113319177
oxan-2-yl-(4-propan-2-yloxyphenyl)methanol
CID 62215174
(1R)-1-[(2S)-oxolan-2-yl]propan-1-ol
CID 67355521
(1S)-1-(oxolan-2-yl)propan-1-ol
CID 67355523
2-(4-methylphenyl)-1-(oxolan-2-yl)ethanol
CID 65331645
(2-amino-3-methylphenyl)-(oxan-2-yl)methanol
CID 105477673
N-ethyl-1-(5-methylfuran-2-yl)-2-(oxolan-2-yl)ethanamine
CID 65156443

Frequently Asked Questions

What is the IUPAC name of (5-methylfuran-2-yl)-(oxolan-2-yl)methanol?
The IUPAC name of (5-methylfuran-2-yl)-(oxolan-2-yl)methanol (CID 123810880) is (5-methylfuran-2-yl)-(oxolan-2-yl)methanol.
What is the SMILES notation for (5-methylfuran-2-yl)-(oxolan-2-yl)methanol?
The canonical SMILES for (5-methylfuran-2-yl)-(oxolan-2-yl)methanol is Cc1ccc(C(O)C2CCCO2)o1.
What is the InChIKey of (5-methylfuran-2-yl)-(oxolan-2-yl)methanol?
The InChIKey is NFQHXWKBRIELSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-7-4-5-9(13-7)10(11)8-3-2-6-12-8/h4-5,8,10-11H,2-3,6H2,1H3.
What are the key properties of (5-methylfuran-2-yl)-(oxolan-2-yl)methanol?
(5-methylfuran-2-yl)-(oxolan-2-yl)methanol has a molecular weight of 182.22 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylfuran-2-yl)-(oxolan-2-yl)methanol is sourced from PubChem (CID 123810880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).