(3,5-dimethylthiophen-2-yl)-(2-fluorophenyl)methanol

C13H13FOS — CID 81158529

IUPAC(3,5-dimethylthiophen-2-yl)-(2-fluorophenyl)methanol
SMILESCc1cc(C)c(C(O)c2ccccc2F)s1
InChIInChI=1S/C13H13FOS/c1-8-7-9(2)16-13(8)12(15)10-5-3-4-6-11(10)14/h3-7,12,15H,1-2H3
InChIKeyMTFFVUAAJFOMTD-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.59
Rot. Bonds2

About (3,5-dimethylthiophen-2-yl)-(2-fluorophenyl)methanol

(3,5-dimethylthiophen-2-yl)-(2-fluorophenyl)methanol (PubChem CID 81158529) has the molecular formula C13H13FOS and a molecular weight of 236.31 g/mol. Its IUPAC name is (3,5-dimethylthiophen-2-yl)-(2-fluorophenyl)methanol.

Molecular Properties

Compound Name(3,5-dimethylthiophen-2-yl)-(2-fluorophenyl)methanol
PubChem CID81158529
Molecular FormulaC13H13FOS
Molecular Weight236.31 g/mol
Exact Mass236.07
IUPAC Name(3,5-dimethylthiophen-2-yl)-(2-fluorophenyl)methanol
SMILESCc1cc(C)c(C(O)c2ccccc2F)s1
InChIInChI=1S/C13H13FOS/c1-8-7-9(2)16-13(8)12(15)10-5-3-4-6-11(10)14/h3-7,12,15H,1-2H3
InChIKeyMTFFVUAAJFOMTD-UHFFFAOYSA-N
XLogP3.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5-dimethylthiophen-2-yl)-(2-methylphenyl)methanol
CID 81158627
2-[chloro-(2-fluorophenyl)methyl]-3,5-dimethylthiophene
CID 81157986
(3,5-dimethylthiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanol
CID 81157519
bis(2-fluorophenyl)methanol
CID 18424663
(2-chloro-4-fluoro-5-methylphenyl)-(2-fluorophenyl)methanol
CID 81045704
(2,5-dichlorothiophen-3-yl)-(2-fluorophenyl)methanol
CID 61082413
(3-bromo-5-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol
CID 113396535
2-[1-bromo-2-(2-fluorophenyl)ethyl]-3,5-dimethylthiophene
CID 81158746
(2-amino-3-methylphenyl)-(2-fluorophenyl)methanol
CID 105489339
2-[bromo-(5-chloro-2-fluorophenyl)methyl]-3,5-dimethylthiophene
CID 81158655
(3-bromo-5-methylthiophen-2-yl)-[2-(difluoromethoxy)phenyl]methanol
CID 65278800
(3-bromo-5-methylthiophen-2-yl)-naphthalen-1-ylmethanol
CID 65278588

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylthiophen-2-yl)-(2-fluorophenyl)methanol?
The IUPAC name of (3,5-dimethylthiophen-2-yl)-(2-fluorophenyl)methanol (CID 81158529) is (3,5-dimethylthiophen-2-yl)-(2-fluorophenyl)methanol.
What is the SMILES notation for (3,5-dimethylthiophen-2-yl)-(2-fluorophenyl)methanol?
The canonical SMILES for (3,5-dimethylthiophen-2-yl)-(2-fluorophenyl)methanol is Cc1cc(C)c(C(O)c2ccccc2F)s1.
What is the InChIKey of (3,5-dimethylthiophen-2-yl)-(2-fluorophenyl)methanol?
The InChIKey is MTFFVUAAJFOMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FOS/c1-8-7-9(2)16-13(8)12(15)10-5-3-4-6-11(10)14/h3-7,12,15H,1-2H3.
What are the key properties of (3,5-dimethylthiophen-2-yl)-(2-fluorophenyl)methanol?
(3,5-dimethylthiophen-2-yl)-(2-fluorophenyl)methanol has a molecular weight of 236.31 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylthiophen-2-yl)-(2-fluorophenyl)methanol is sourced from PubChem (CID 81158529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).