2-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]thiophen-2-yl]ethanol

C12H18O3S — CID 70437811

IUPAC2-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]thiophen-2-yl]ethanol
SMILESCC1(C)OC[C@@H](Cc2csc(CCO)c2)O1
InChIInChI=1S/C12H18O3S/c1-12(2)14-7-10(15-12)5-9-6-11(3-4-13)16-8-9/h6,8,10,13H,3-5,7H2,1-2H3/t10-/m1/s1
InChIKeyFZNVFRFKQFKWGX-SNVBAGLBSA-N
MW242.34 g/mol
LogP1.98
Rot. Bonds4

About 2-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]thiophen-2-yl]ethanol

2-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]thiophen-2-yl]ethanol (PubChem CID 70437811) has the molecular formula C12H18O3S and a molecular weight of 242.34 g/mol. Its IUPAC name is 2-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]thiophen-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]thiophen-2-yl]ethanol
PubChem CID70437811
Molecular FormulaC12H18O3S
Molecular Weight242.34 g/mol
Exact Mass242.10
IUPAC Name2-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]thiophen-2-yl]ethanol
SMILESCC1(C)OC[C@@H](Cc2csc(CCO)c2)O1
InChIInChI=1S/C12H18O3S/c1-12(2)14-7-10(15-12)5-9-6-11(3-4-13)16-8-9/h6,8,10,13H,3-5,7H2,1-2H3/t10-/m1/s1
InChIKeyFZNVFRFKQFKWGX-SNVBAGLBSA-N
XLogP1.98
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]thiophen-2-yl]ethanol with MolForge

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Related Compounds

2,2-Dimethyl-4-(1-thiophen-2-ylprop-2-enyl)-1,3-dioxolane
CID 176428126
[5-(2-Methyl-1,3-dioxolan-2-yl)thiophen-2-yl](phenyl)methanol
CID 282719
spiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-1-benzothiophene]
CID 13911628
2-[4-[(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl]thiophen-2-yl]ethanol
CID 20197413
2-[4-[2-(2,2-Dimethyl-1,3-dioxolan-4-yl)ethylsulfanyl]phenyl]ethanol
CID 20197422
2-[4-[(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl]thiophen-2-yl]acetic acid
CID 20197435
Methyl 2-[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]thiophen-2-yl]acetate
CID 20197512
2-[4-[1-(2,2-Dimethyl-1,3-dioxolan-4-yl)ethylsulfanyl]phenyl]ethanol
CID 20197514
2-[2-(4-Methylthiophen-2-yl)ethoxy]ethanol
CID 20213717
2,2-Bis[(2-propan-2-ylthiophen-3-yl)methyl]-1,3-dioxolane
CID 58150365
2-(4-(2-Hydroxyethyl)thiophen-2-yl)ethyl acetate
CID 58168497
2'-methylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-1-benzothiophene]
CID 59888812

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]thiophen-2-yl]ethanol?
The IUPAC name of 2-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]thiophen-2-yl]ethanol (CID 70437811) is 2-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]thiophen-2-yl]ethanol.
What is the SMILES notation for 2-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]thiophen-2-yl]ethanol?
The canonical SMILES for 2-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]thiophen-2-yl]ethanol is CC1(C)OC[C@@H](Cc2csc(CCO)c2)O1.
What is the InChIKey of 2-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]thiophen-2-yl]ethanol?
The InChIKey is FZNVFRFKQFKWGX-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H18O3S/c1-12(2)14-7-10(15-12)5-9-6-11(3-4-13)16-8-9/h6,8,10,13H,3-5,7H2,1-2H3/t10-/m1/s1.
What are the key properties of 2-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]thiophen-2-yl]ethanol?
2-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]thiophen-2-yl]ethanol has a molecular weight of 242.34 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]thiophen-2-yl]ethanol is sourced from PubChem (CID 70437811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).