(1R)-1-phenyl-1-thiophen-3-ylethanol

C12H12OS — CID 101440719

IUPAC(1R)-1-phenyl-1-thiophen-3-ylethanol
SMILESC[C@@](O)(c1ccccc1)c1ccsc1
InChIInChI=1S/C12H12OS/c1-12(13,11-7-8-14-9-11)10-5-3-2-4-6-10/h2-9,13H,1H3/t12-/m1/s1
InChIKeyBAXCLNJCSGCRSZ-GFCCVEGCSA-N
MW204.29 g/mol
LogP3.00
Rot. Bonds2

About (1R)-1-phenyl-1-thiophen-3-ylethanol

(1R)-1-phenyl-1-thiophen-3-ylethanol (PubChem CID 101440719) has the molecular formula C12H12OS and a molecular weight of 204.29 g/mol. Its IUPAC name is (1R)-1-phenyl-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name(1R)-1-phenyl-1-thiophen-3-ylethanol
PubChem CID101440719
Molecular FormulaC12H12OS
Molecular Weight204.29 g/mol
Exact Mass204.06
IUPAC Name(1R)-1-phenyl-1-thiophen-3-ylethanol
SMILESC[C@@](O)(c1ccccc1)c1ccsc1
InChIInChI=1S/C12H12OS/c1-12(13,11-7-8-14-9-11)10-5-3-2-4-6-10/h2-9,13H,1H3/t12-/m1/s1
InChIKeyBAXCLNJCSGCRSZ-GFCCVEGCSA-N
XLogP3.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Benzothiophen-3-ylmethanol
CID 2776342
3-(Thiophen-2-YL)phenol
CID 3564196
2,6-Dimethyl-4-(2-(2-thienyl)ethenyl)phenol
CID 6439221
Phenyl(2-thienyl)methanol
CID 2741016
2,6-Dimethyl-4-(2-thiophen-3-yl-vinyl)-phenol
CID 14771924
2,6-Dimethyl-4-(2-thiophen-2-ylethyl)phenol
CID 14771931
Diphenyl(thiophen-2-yl)methanol
CID 315631
4-(Diethylamino)-1-phenyl-1-(thiophen-2-yl)but-2-yn-1-ol
CID 120858
2-(Thiophen-2-yl)phenol
CID 3564195
4-(Thiophen-3-yl)phenol
CID 4130342
{2-[Dimethyl(thiophen-2-yl)silyl]phenyl}methanol
CID 11242115
2-(Thiophen-2-yl)pent-4-yn-2-ol
CID 22404511

Frequently Asked Questions

What is the IUPAC name of (1R)-1-phenyl-1-thiophen-3-ylethanol?
The IUPAC name of (1R)-1-phenyl-1-thiophen-3-ylethanol (CID 101440719) is (1R)-1-phenyl-1-thiophen-3-ylethanol.
What is the SMILES notation for (1R)-1-phenyl-1-thiophen-3-ylethanol?
The canonical SMILES for (1R)-1-phenyl-1-thiophen-3-ylethanol is C[C@@](O)(c1ccccc1)c1ccsc1.
What is the InChIKey of (1R)-1-phenyl-1-thiophen-3-ylethanol?
The InChIKey is BAXCLNJCSGCRSZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H12OS/c1-12(13,11-7-8-14-9-11)10-5-3-2-4-6-10/h2-9,13H,1H3/t12-/m1/s1.
What are the key properties of (1R)-1-phenyl-1-thiophen-3-ylethanol?
(1R)-1-phenyl-1-thiophen-3-ylethanol has a molecular weight of 204.29 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-phenyl-1-thiophen-3-ylethanol is sourced from PubChem (CID 101440719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).