(5-methyloxolan-2-yl)-(5-methylthiophen-2-yl)methanol

C11H16O2S — CID 81330595

IUPAC(5-methyloxolan-2-yl)-(5-methylthiophen-2-yl)methanol
SMILESCc1ccc(C(O)C2CCC(C)O2)s1
InChIInChI=1S/C11H16O2S/c1-7-3-5-9(13-7)11(12)10-6-4-8(2)14-10/h4,6-7,9,11-12H,3,5H2,1-2H3
InChIKeyVBKYLXGQNMQHGP-UHFFFAOYSA-N
MW212.31 g/mol
LogP2.66
Rot. Bonds2

About (5-methyloxolan-2-yl)-(5-methylthiophen-2-yl)methanol

(5-methyloxolan-2-yl)-(5-methylthiophen-2-yl)methanol (PubChem CID 81330595) has the molecular formula C11H16O2S and a molecular weight of 212.31 g/mol. Its IUPAC name is (5-methyloxolan-2-yl)-(5-methylthiophen-2-yl)methanol.

Molecular Properties

Compound Name(5-methyloxolan-2-yl)-(5-methylthiophen-2-yl)methanol
PubChem CID81330595
Molecular FormulaC11H16O2S
Molecular Weight212.31 g/mol
Exact Mass212.09
IUPAC Name(5-methyloxolan-2-yl)-(5-methylthiophen-2-yl)methanol
SMILESCc1ccc(C(O)C2CCC(C)O2)s1
InChIInChI=1S/C11H16O2S/c1-7-3-5-9(13-7)11(12)10-6-4-8(2)14-10/h4,6-7,9,11-12H,3,5H2,1-2H3
InChIKeyVBKYLXGQNMQHGP-UHFFFAOYSA-N
XLogP2.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.31
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-methyloxolan-2-yl)-(5-methylthiophen-2-yl)methanol?
The IUPAC name of (5-methyloxolan-2-yl)-(5-methylthiophen-2-yl)methanol (CID 81330595) is (5-methyloxolan-2-yl)-(5-methylthiophen-2-yl)methanol.
What is the SMILES notation for (5-methyloxolan-2-yl)-(5-methylthiophen-2-yl)methanol?
The canonical SMILES for (5-methyloxolan-2-yl)-(5-methylthiophen-2-yl)methanol is Cc1ccc(C(O)C2CCC(C)O2)s1.
What is the InChIKey of (5-methyloxolan-2-yl)-(5-methylthiophen-2-yl)methanol?
The InChIKey is VBKYLXGQNMQHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2S/c1-7-3-5-9(13-7)11(12)10-6-4-8(2)14-10/h4,6-7,9,11-12H,3,5H2,1-2H3.
What are the key properties of (5-methyloxolan-2-yl)-(5-methylthiophen-2-yl)methanol?
(5-methyloxolan-2-yl)-(5-methylthiophen-2-yl)methanol has a molecular weight of 212.31 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyloxolan-2-yl)-(5-methylthiophen-2-yl)methanol is sourced from PubChem (CID 81330595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).