(2,4-difluorophenyl)-(3-methylthiophen-2-yl)methanol

C12H10F2OS — CID 61087353

IUPAC(2,4-difluorophenyl)-(3-methylthiophen-2-yl)methanol
SMILESCc1ccsc1C(O)c1ccc(F)cc1F
InChIInChI=1S/C12H10F2OS/c1-7-4-5-16-12(7)11(15)9-3-2-8(13)6-10(9)14/h2-6,11,15H,1H3
InChIKeyIMOUBWXNUJPSDM-UHFFFAOYSA-N
MW240.27 g/mol
LogP3.42
Rot. Bonds2

About (2,4-difluorophenyl)-(3-methylthiophen-2-yl)methanol

(2,4-difluorophenyl)-(3-methylthiophen-2-yl)methanol (PubChem CID 61087353) has the molecular formula C12H10F2OS and a molecular weight of 240.27 g/mol. Its IUPAC name is (2,4-difluorophenyl)-(3-methylthiophen-2-yl)methanol.

Molecular Properties

Compound Name(2,4-difluorophenyl)-(3-methylthiophen-2-yl)methanol
PubChem CID61087353
Molecular FormulaC12H10F2OS
Molecular Weight240.27 g/mol
Exact Mass240.04
IUPAC Name(2,4-difluorophenyl)-(3-methylthiophen-2-yl)methanol
SMILESCc1ccsc1C(O)c1ccc(F)cc1F
InChIInChI=1S/C12H10F2OS/c1-7-4-5-16-12(7)11(15)9-3-2-8(13)6-10(9)14/h2-6,11,15H,1H3
InChIKeyIMOUBWXNUJPSDM-UHFFFAOYSA-N
XLogP3.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-(3-methylthiophen-2-yl)methanol?
The IUPAC name of (2,4-difluorophenyl)-(3-methylthiophen-2-yl)methanol (CID 61087353) is (2,4-difluorophenyl)-(3-methylthiophen-2-yl)methanol.
What is the SMILES notation for (2,4-difluorophenyl)-(3-methylthiophen-2-yl)methanol?
The canonical SMILES for (2,4-difluorophenyl)-(3-methylthiophen-2-yl)methanol is Cc1ccsc1C(O)c1ccc(F)cc1F.
What is the InChIKey of (2,4-difluorophenyl)-(3-methylthiophen-2-yl)methanol?
The InChIKey is IMOUBWXNUJPSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2OS/c1-7-4-5-16-12(7)11(15)9-3-2-8(13)6-10(9)14/h2-6,11,15H,1H3.
What are the key properties of (2,4-difluorophenyl)-(3-methylthiophen-2-yl)methanol?
(2,4-difluorophenyl)-(3-methylthiophen-2-yl)methanol has a molecular weight of 240.27 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)-(3-methylthiophen-2-yl)methanol is sourced from PubChem (CID 61087353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).