3-[5-(3,4-difluorophenyl)thiophen-2-yl]phenol

C16H10F2OS — CID 44542795

IUPAC3-[5-(3,4-difluorophenyl)thiophen-2-yl]phenol
SMILESOc1cccc(-c2ccc(-c3ccc(F)c(F)c3)s2)c1
InChIInChI=1S/C16H10F2OS/c17-13-5-4-11(9-14(13)18)16-7-6-15(20-16)10-2-1-3-12(19)8-10/h1-9,19H
InChIKeyPKUPEZBIFLWEBN-UHFFFAOYSA-N
MW288.32 g/mol
LogP5.07
Rot. Bonds2

About 3-[5-(3,4-difluorophenyl)thiophen-2-yl]phenol

3-[5-(3,4-difluorophenyl)thiophen-2-yl]phenol (PubChem CID 44542795) has the molecular formula C16H10F2OS and a molecular weight of 288.32 g/mol. Its IUPAC name is 3-[5-(3,4-difluorophenyl)thiophen-2-yl]phenol.

Molecular Properties

Compound Name3-[5-(3,4-difluorophenyl)thiophen-2-yl]phenol
PubChem CID44542795
Molecular FormulaC16H10F2OS
Molecular Weight288.32 g/mol
Exact Mass288.04
IUPAC Name3-[5-(3,4-difluorophenyl)thiophen-2-yl]phenol
SMILESOc1cccc(-c2ccc(-c3ccc(F)c(F)c3)s2)c1
InChIInChI=1S/C16H10F2OS/c17-13-5-4-11(9-14(13)18)16-7-6-15(20-16)10-2-1-3-12(19)8-10/h1-9,19H
InChIKeyPKUPEZBIFLWEBN-UHFFFAOYSA-N
XLogP5.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.32
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(3,4-difluorophenyl)thiophen-2-yl]phenol?
The IUPAC name of 3-[5-(3,4-difluorophenyl)thiophen-2-yl]phenol (CID 44542795) is 3-[5-(3,4-difluorophenyl)thiophen-2-yl]phenol.
What is the SMILES notation for 3-[5-(3,4-difluorophenyl)thiophen-2-yl]phenol?
The canonical SMILES for 3-[5-(3,4-difluorophenyl)thiophen-2-yl]phenol is Oc1cccc(-c2ccc(-c3ccc(F)c(F)c3)s2)c1.
What is the InChIKey of 3-[5-(3,4-difluorophenyl)thiophen-2-yl]phenol?
The InChIKey is PKUPEZBIFLWEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F2OS/c17-13-5-4-11(9-14(13)18)16-7-6-15(20-16)10-2-1-3-12(19)8-10/h1-9,19H.
What are the key properties of 3-[5-(3,4-difluorophenyl)thiophen-2-yl]phenol?
3-[5-(3,4-difluorophenyl)thiophen-2-yl]phenol has a molecular weight of 288.32 g/mol, XLogP of 5.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3,4-difluorophenyl)thiophen-2-yl]phenol is sourced from PubChem (CID 44542795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).