(2S)-3-(5-butylthiophen-2-yl)-2-methylpropan-1-ol

C12H20OS — CID 15156705

IUPAC(2S)-3-(5-butylthiophen-2-yl)-2-methylpropan-1-ol
SMILESCCCCc1ccc(C[C@H](C)CO)s1
InChIInChI=1S/C12H20OS/c1-3-4-5-11-6-7-12(14-11)8-10(2)9-13/h6-7,10,13H,3-5,8-9H2,1-2H3/t10-/m0/s1
InChIKeyZNNDHNQHHRXZOS-JTQLQIEISA-N
MW212.36 g/mol
LogP3.26
Rot. Bonds6

About (2S)-3-(5-butylthiophen-2-yl)-2-methylpropan-1-ol

(2S)-3-(5-butylthiophen-2-yl)-2-methylpropan-1-ol (PubChem CID 15156705) has the molecular formula C12H20OS and a molecular weight of 212.36 g/mol. Its IUPAC name is (2S)-3-(5-butylthiophen-2-yl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name(2S)-3-(5-butylthiophen-2-yl)-2-methylpropan-1-ol
PubChem CID15156705
Molecular FormulaC12H20OS
Molecular Weight212.36 g/mol
Exact Mass212.12
IUPAC Name(2S)-3-(5-butylthiophen-2-yl)-2-methylpropan-1-ol
SMILESCCCCc1ccc(C[C@H](C)CO)s1
InChIInChI=1S/C12H20OS/c1-3-4-5-11-6-7-12(14-11)8-10(2)9-13/h6-7,10,13H,3-5,8-9H2,1-2H3/t10-/m0/s1
InChIKeyZNNDHNQHHRXZOS-JTQLQIEISA-N
XLogP3.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-(5-butylthiophen-2-yl)-2-methylpropan-1-ol?
The IUPAC name of (2S)-3-(5-butylthiophen-2-yl)-2-methylpropan-1-ol (CID 15156705) is (2S)-3-(5-butylthiophen-2-yl)-2-methylpropan-1-ol.
What is the SMILES notation for (2S)-3-(5-butylthiophen-2-yl)-2-methylpropan-1-ol?
The canonical SMILES for (2S)-3-(5-butylthiophen-2-yl)-2-methylpropan-1-ol is CCCCc1ccc(C[C@H](C)CO)s1.
What is the InChIKey of (2S)-3-(5-butylthiophen-2-yl)-2-methylpropan-1-ol?
The InChIKey is ZNNDHNQHHRXZOS-JTQLQIEISA-N. The full InChI is InChI=1S/C12H20OS/c1-3-4-5-11-6-7-12(14-11)8-10(2)9-13/h6-7,10,13H,3-5,8-9H2,1-2H3/t10-/m0/s1.
What are the key properties of (2S)-3-(5-butylthiophen-2-yl)-2-methylpropan-1-ol?
(2S)-3-(5-butylthiophen-2-yl)-2-methylpropan-1-ol has a molecular weight of 212.36 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(5-butylthiophen-2-yl)-2-methylpropan-1-ol is sourced from PubChem (CID 15156705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).