1-(2-methylthiophen-3-yl)-2-propan-2-yloxyethanol

C10H16O2S — CID 102842375

IUPAC1-(2-methylthiophen-3-yl)-2-propan-2-yloxyethanol
SMILESCc1sccc1C(O)COC(C)C
InChIInChI=1S/C10H16O2S/c1-7(2)12-6-10(11)9-4-5-13-8(9)3/h4-5,7,10-11H,6H2,1-3H3
InChIKeyOQQBKUMFVSNSMF-UHFFFAOYSA-N
MW200.30 g/mol
LogP2.51
Rot. Bonds4

About 1-(2-methylthiophen-3-yl)-2-propan-2-yloxyethanol

1-(2-methylthiophen-3-yl)-2-propan-2-yloxyethanol (PubChem CID 102842375) has the molecular formula C10H16O2S and a molecular weight of 200.30 g/mol. Its IUPAC name is 1-(2-methylthiophen-3-yl)-2-propan-2-yloxyethanol.

Molecular Properties

Compound Name1-(2-methylthiophen-3-yl)-2-propan-2-yloxyethanol
PubChem CID102842375
Molecular FormulaC10H16O2S
Molecular Weight200.30 g/mol
Exact Mass200.09
IUPAC Name1-(2-methylthiophen-3-yl)-2-propan-2-yloxyethanol
SMILESCc1sccc1C(O)COC(C)C
InChIInChI=1S/C10H16O2S/c1-7(2)12-6-10(11)9-4-5-13-8(9)3/h4-5,7,10-11H,6H2,1-3H3
InChIKeyOQQBKUMFVSNSMF-UHFFFAOYSA-N
XLogP2.51
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylthiophen-3-yl)-2-propan-2-yloxyethanamine
CID 102842113
4-methoxy-1-(2-methylthiophen-3-yl)butan-1-ol
CID 102831325
1-(2-iodophenyl)-2-propan-2-yloxyethanol
CID 115821533
2-cyclohexyl-1-(2-methylthiophen-3-yl)ethanol
CID 102829334
1-(2-chloro-3-methylphenyl)-2-propan-2-yloxyethanol
CID 115821571
3-(4-methylphenyl)-1-(2-methylthiophen-3-yl)propan-1-ol
CID 102842310
3-cyclopentyl-1-(2-methylthiophen-3-yl)propan-1-ol
CID 102842471
1-(2-methylthiophen-3-yl)propane-1,2,3-triol
CID 170817278
(1R)-1-(2-methylthiophen-3-yl)ethanamine
CID 46839608
2-(2-methyl-1,3-thiazol-4-yl)-1-(2-methylthiophen-3-yl)ethanol
CID 102831271
1-(2-methylthiophen-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 102842312
2-(furan-2-yl)-1-(2-methylthiophen-3-yl)ethanol
CID 130581429

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylthiophen-3-yl)-2-propan-2-yloxyethanol?
The IUPAC name of 1-(2-methylthiophen-3-yl)-2-propan-2-yloxyethanol (CID 102842375) is 1-(2-methylthiophen-3-yl)-2-propan-2-yloxyethanol.
What is the SMILES notation for 1-(2-methylthiophen-3-yl)-2-propan-2-yloxyethanol?
The canonical SMILES for 1-(2-methylthiophen-3-yl)-2-propan-2-yloxyethanol is Cc1sccc1C(O)COC(C)C.
What is the InChIKey of 1-(2-methylthiophen-3-yl)-2-propan-2-yloxyethanol?
The InChIKey is OQQBKUMFVSNSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2S/c1-7(2)12-6-10(11)9-4-5-13-8(9)3/h4-5,7,10-11H,6H2,1-3H3.
What are the key properties of 1-(2-methylthiophen-3-yl)-2-propan-2-yloxyethanol?
1-(2-methylthiophen-3-yl)-2-propan-2-yloxyethanol has a molecular weight of 200.30 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylthiophen-3-yl)-2-propan-2-yloxyethanol is sourced from PubChem (CID 102842375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).