(2S)-2-methyl-3-(5-propylthiophen-2-yl)propan-1-ol

C11H18OS — CID 15156704

IUPAC(2S)-2-methyl-3-(5-propylthiophen-2-yl)propan-1-ol
SMILESCCCc1ccc(C[C@H](C)CO)s1
InChIInChI=1S/C11H18OS/c1-3-4-10-5-6-11(13-10)7-9(2)8-12/h5-6,9,12H,3-4,7-8H2,1-2H3/t9-/m0/s1
InChIKeyCRKBCRJAIRIABX-VIFPVBQESA-N
MW198.33 g/mol
LogP2.87
Rot. Bonds5

About (2S)-2-methyl-3-(5-propylthiophen-2-yl)propan-1-ol

(2S)-2-methyl-3-(5-propylthiophen-2-yl)propan-1-ol (PubChem CID 15156704) has the molecular formula C11H18OS and a molecular weight of 198.33 g/mol. Its IUPAC name is (2S)-2-methyl-3-(5-propylthiophen-2-yl)propan-1-ol.

Molecular Properties

Compound Name(2S)-2-methyl-3-(5-propylthiophen-2-yl)propan-1-ol
PubChem CID15156704
Molecular FormulaC11H18OS
Molecular Weight198.33 g/mol
Exact Mass198.11
IUPAC Name(2S)-2-methyl-3-(5-propylthiophen-2-yl)propan-1-ol
SMILESCCCc1ccc(C[C@H](C)CO)s1
InChIInChI=1S/C11H18OS/c1-3-4-10-5-6-11(13-10)7-9(2)8-12/h5-6,9,12H,3-4,7-8H2,1-2H3/t9-/m0/s1
InChIKeyCRKBCRJAIRIABX-VIFPVBQESA-N
XLogP2.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Thiophen-2-yl)propan-1-ol
CID 13109866
2-(5-Methylthiophen-2-yl)ethan-1-ol
CID 13289289
2-(2-Thienyl)cyclohexanol
CID 2760612
2-(2,5-Dimethylthiophen-3-yl)ethan-1-ol
CID 13144702
3-Hydroxy-2-(thiophen-2-ylmethyl)propanenitrile
CID 55163473
rac-[(1R,2R)-2-(thiophen-2-yl)cyclopropyl]methanol
CID 67942345
4-(Thiophen-2-yl)butan-1-ol
CID 12623862
[(1R,2R)-2-(5-Bromothiophen-2-yl)cyclopropyl]methanol
CID 155821129
3-Methyl-5-(2-thienyl)pentanol
CID 23272364
2-Thiophenepentanol
CID 12197744
6-(2-Thienyl)hexanol
CID 12197745
6-(Thiophen-3-yl)hexan-1-ol
CID 13557546

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-3-(5-propylthiophen-2-yl)propan-1-ol?
The IUPAC name of (2S)-2-methyl-3-(5-propylthiophen-2-yl)propan-1-ol (CID 15156704) is (2S)-2-methyl-3-(5-propylthiophen-2-yl)propan-1-ol.
What is the SMILES notation for (2S)-2-methyl-3-(5-propylthiophen-2-yl)propan-1-ol?
The canonical SMILES for (2S)-2-methyl-3-(5-propylthiophen-2-yl)propan-1-ol is CCCc1ccc(C[C@H](C)CO)s1.
What is the InChIKey of (2S)-2-methyl-3-(5-propylthiophen-2-yl)propan-1-ol?
The InChIKey is CRKBCRJAIRIABX-VIFPVBQESA-N. The full InChI is InChI=1S/C11H18OS/c1-3-4-10-5-6-11(13-10)7-9(2)8-12/h5-6,9,12H,3-4,7-8H2,1-2H3/t9-/m0/s1.
What are the key properties of (2S)-2-methyl-3-(5-propylthiophen-2-yl)propan-1-ol?
(2S)-2-methyl-3-(5-propylthiophen-2-yl)propan-1-ol has a molecular weight of 198.33 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-3-(5-propylthiophen-2-yl)propan-1-ol is sourced from PubChem (CID 15156704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).