(3-methylthiophen-2-yl)-[2-(trifluoromethoxy)phenyl]methanol

C13H11F3O2S — CID 63893911

IUPAC(3-methylthiophen-2-yl)-[2-(trifluoromethoxy)phenyl]methanol
SMILESCc1ccsc1C(O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C13H11F3O2S/c1-8-6-7-19-12(8)11(17)9-4-2-3-5-10(9)18-13(14,15)16/h2-7,11,17H,1H3
InChIKeyOPYQHZDJWLWXJN-UHFFFAOYSA-N
MW288.29 g/mol
LogP4.04
Rot. Bonds3

About (3-methylthiophen-2-yl)-[2-(trifluoromethoxy)phenyl]methanol

(3-methylthiophen-2-yl)-[2-(trifluoromethoxy)phenyl]methanol (PubChem CID 63893911) has the molecular formula C13H11F3O2S and a molecular weight of 288.29 g/mol. Its IUPAC name is (3-methylthiophen-2-yl)-[2-(trifluoromethoxy)phenyl]methanol.

Molecular Properties

Compound Name(3-methylthiophen-2-yl)-[2-(trifluoromethoxy)phenyl]methanol
PubChem CID63893911
Molecular FormulaC13H11F3O2S
Molecular Weight288.29 g/mol
Exact Mass288.04
IUPAC Name(3-methylthiophen-2-yl)-[2-(trifluoromethoxy)phenyl]methanol
SMILESCc1ccsc1C(O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C13H11F3O2S/c1-8-6-7-19-12(8)11(17)9-4-2-3-5-10(9)18-13(14,15)16/h2-7,11,17H,1H3
InChIKeyOPYQHZDJWLWXJN-UHFFFAOYSA-N
XLogP4.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-aminophenyl)-(3-methylthiophen-2-yl)methanol
CID 79987439
phenyl-[2-(trifluoromethoxy)phenyl]methanol
CID 62789776
(2-chloro-3-fluorophenyl)-(3-methylthiophen-2-yl)methanol
CID 81461208
(2-iodophenyl)-[2-(trifluoromethoxy)phenyl]methanol
CID 115792609
(2-bromophenyl)-[2-(trifluoromethoxy)phenyl]methanol
CID 62791669
(3-methylthiophen-2-yl)-(2,4,5-trimethylphenyl)methanol
CID 64985208
(4-iodophenyl)-[2-(trifluoromethoxy)phenyl]methanol
CID 115792623
[(3-methoxythiophen-2-yl)-[2-(trifluoromethoxy)phenyl]methyl]hydrazine
CID 105301473
(S)-chloro-[2-(trifluoromethoxy)phenyl]methanol
CID 130359004
(2-ethyl-5-methylpyrazol-3-yl)-[2-(trifluoromethoxy)phenyl]methanol
CID 105092804
furan-2-yl-[2-(trifluoromethoxy)phenyl]methanol
CID 62791171
(2-methyl-4-pyridinyl)-[2-(trifluoromethoxy)phenyl]methanol
CID 106756171

Frequently Asked Questions

What is the IUPAC name of (3-methylthiophen-2-yl)-[2-(trifluoromethoxy)phenyl]methanol?
The IUPAC name of (3-methylthiophen-2-yl)-[2-(trifluoromethoxy)phenyl]methanol (CID 63893911) is (3-methylthiophen-2-yl)-[2-(trifluoromethoxy)phenyl]methanol.
What is the SMILES notation for (3-methylthiophen-2-yl)-[2-(trifluoromethoxy)phenyl]methanol?
The canonical SMILES for (3-methylthiophen-2-yl)-[2-(trifluoromethoxy)phenyl]methanol is Cc1ccsc1C(O)c1ccccc1OC(F)(F)F.
What is the InChIKey of (3-methylthiophen-2-yl)-[2-(trifluoromethoxy)phenyl]methanol?
The InChIKey is OPYQHZDJWLWXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3O2S/c1-8-6-7-19-12(8)11(17)9-4-2-3-5-10(9)18-13(14,15)16/h2-7,11,17H,1H3.
What are the key properties of (3-methylthiophen-2-yl)-[2-(trifluoromethoxy)phenyl]methanol?
(3-methylthiophen-2-yl)-[2-(trifluoromethoxy)phenyl]methanol has a molecular weight of 288.29 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylthiophen-2-yl)-[2-(trifluoromethoxy)phenyl]methanol is sourced from PubChem (CID 63893911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).