[3-(furan-3-ylmethyl)-2-methyloxolan-3-yl]methanol

C11H16O3 — CID 114535679

IUPAC[3-(furan-3-ylmethyl)-2-methyloxolan-3-yl]methanol
SMILESCC1OCCC1(CO)Cc1ccoc1
InChIInChI=1S/C11H16O3/c1-9-11(8-12,3-5-14-9)6-10-2-4-13-7-10/h2,4,7,9,12H,3,5-6,8H2,1H3
InChIKeyVHBWCGHNULUKSE-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.61
Rot. Bonds3

About [3-(furan-3-ylmethyl)-2-methyloxolan-3-yl]methanol

[3-(furan-3-ylmethyl)-2-methyloxolan-3-yl]methanol (PubChem CID 114535679) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is [3-(furan-3-ylmethyl)-2-methyloxolan-3-yl]methanol.

Molecular Properties

Compound Name[3-(furan-3-ylmethyl)-2-methyloxolan-3-yl]methanol
PubChem CID114535679
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name[3-(furan-3-ylmethyl)-2-methyloxolan-3-yl]methanol
SMILESCC1OCCC1(CO)Cc1ccoc1
InChIInChI=1S/C11H16O3/c1-9-11(8-12,3-5-14-9)6-10-2-4-13-7-10/h2,4,7,9,12H,3,5-6,8H2,1H3
InChIKeyVHBWCGHNULUKSE-UHFFFAOYSA-N
XLogP1.61
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(furan-3-ylmethyl)-2-methyloxolan-3-yl]methanamine
CID 114534069
[3-[(4-fluorophenyl)methyl]-2-methyloxolan-3-yl]methanol
CID 114535533
[3-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methyloxolan-3-yl]methanol
CID 114535657
[3-(hydroxymethyl)-2-methyloxolan-3-yl]methanol
CID 130490555
[2-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-yl]methanol
CID 114535692
1-(furan-3-ylmethyl)-3-methylcyclobutan-1-ol
CID 103564546
[2-methyl-3-(1,3-thiazol-2-ylmethyl)oxolan-3-yl]methanol
CID 114535607
3-(furan-3-yl)-2-methyloxolan-3-ol
CID 82719090
3-[(4-tert-butylphenyl)methyl]-3-(chloromethyl)-2-methyloxolane
CID 114535815
1-(furan-3-ylmethyl)-3,3-dimethylcyclopentan-1-ol
CID 83173185
[2-methyl-3-(thiophen-3-ylmethyl)oxolan-3-yl]methanamine
CID 114534046
3-[[2-methyl-3-[(propan-2-ylamino)methyl]oxolan-3-yl]methyl]phenol
CID 114534749

Frequently Asked Questions

What is the IUPAC name of [3-(furan-3-ylmethyl)-2-methyloxolan-3-yl]methanol?
The IUPAC name of [3-(furan-3-ylmethyl)-2-methyloxolan-3-yl]methanol (CID 114535679) is [3-(furan-3-ylmethyl)-2-methyloxolan-3-yl]methanol.
What is the SMILES notation for [3-(furan-3-ylmethyl)-2-methyloxolan-3-yl]methanol?
The canonical SMILES for [3-(furan-3-ylmethyl)-2-methyloxolan-3-yl]methanol is CC1OCCC1(CO)Cc1ccoc1.
What is the InChIKey of [3-(furan-3-ylmethyl)-2-methyloxolan-3-yl]methanol?
The InChIKey is VHBWCGHNULUKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-9-11(8-12,3-5-14-9)6-10-2-4-13-7-10/h2,4,7,9,12H,3,5-6,8H2,1H3.
What are the key properties of [3-(furan-3-ylmethyl)-2-methyloxolan-3-yl]methanol?
[3-(furan-3-ylmethyl)-2-methyloxolan-3-yl]methanol has a molecular weight of 196.25 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 [3-(furan-3-ylmethyl)-2-methyloxolan-3-yl]methanol is sourced from PubChem (CID 114535679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).