(2R)-3-methyl-2-(thiophen-3-ylmethyl)butan-1-ol

C10H16OS — CID 155931004

IUPAC(2R)-3-methyl-2-(thiophen-3-ylmethyl)butan-1-ol
SMILESCC(C)[C@H](CO)Cc1ccsc1
InChIInChI=1S/C10H16OS/c1-8(2)10(6-11)5-9-3-4-12-7-9/h3-4,7-8,10-11H,5-6H2,1-2H3/t10-/m0/s1
InChIKeyHMJVTIDCHWUUSY-JTQLQIEISA-N
MW184.30 g/mol
LogP2.56
Rot. Bonds4

About (2R)-3-methyl-2-(thiophen-3-ylmethyl)butan-1-ol

(2R)-3-methyl-2-(thiophen-3-ylmethyl)butan-1-ol (PubChem CID 155931004) has the molecular formula C10H16OS and a molecular weight of 184.30 g/mol. Its IUPAC name is (2R)-3-methyl-2-(thiophen-3-ylmethyl)butan-1-ol.

Molecular Properties

Compound Name(2R)-3-methyl-2-(thiophen-3-ylmethyl)butan-1-ol
PubChem CID155931004
Molecular FormulaC10H16OS
Molecular Weight184.30 g/mol
Exact Mass184.09
IUPAC Name(2R)-3-methyl-2-(thiophen-3-ylmethyl)butan-1-ol
SMILESCC(C)[C@H](CO)Cc1ccsc1
InChIInChI=1S/C10H16OS/c1-8(2)10(6-11)5-9-3-4-12-7-9/h3-4,7-8,10-11H,5-6H2,1-2H3/t10-/m0/s1
InChIKeyHMJVTIDCHWUUSY-JTQLQIEISA-N
XLogP2.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.30
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-(thiophen-3-ylmethyl)butan-1-ol?
The IUPAC name of (2R)-3-methyl-2-(thiophen-3-ylmethyl)butan-1-ol (CID 155931004) is (2R)-3-methyl-2-(thiophen-3-ylmethyl)butan-1-ol.
What is the SMILES notation for (2R)-3-methyl-2-(thiophen-3-ylmethyl)butan-1-ol?
The canonical SMILES for (2R)-3-methyl-2-(thiophen-3-ylmethyl)butan-1-ol is CC(C)[C@H](CO)Cc1ccsc1.
What is the InChIKey of (2R)-3-methyl-2-(thiophen-3-ylmethyl)butan-1-ol?
The InChIKey is HMJVTIDCHWUUSY-JTQLQIEISA-N. The full InChI is InChI=1S/C10H16OS/c1-8(2)10(6-11)5-9-3-4-12-7-9/h3-4,7-8,10-11H,5-6H2,1-2H3/t10-/m0/s1.
What are the key properties of (2R)-3-methyl-2-(thiophen-3-ylmethyl)butan-1-ol?
(2R)-3-methyl-2-(thiophen-3-ylmethyl)butan-1-ol has a molecular weight of 184.30 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-(thiophen-3-ylmethyl)butan-1-ol is sourced from PubChem (CID 155931004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).