4-[4-(3,4-difluorophenyl)-2-fluorophenyl]phenol

C18H11F3O — CID 175346756

IUPAC4-[4-(3,4-difluorophenyl)-2-fluorophenyl]phenol
SMILESOc1ccc(-c2ccc(-c3ccc(F)c(F)c3)cc2F)cc1
InChIInChI=1S/C18H11F3O/c19-16-8-4-13(10-18(16)21)12-3-7-15(17(20)9-12)11-1-5-14(22)6-2-11/h1-10,22H
InChIKeyKYWMTGOFDPMJDX-UHFFFAOYSA-N
MW300.28 g/mol
LogP5.14
Rot. Bonds2

About 4-[4-(3,4-difluorophenyl)-2-fluorophenyl]phenol

4-[4-(3,4-difluorophenyl)-2-fluorophenyl]phenol (PubChem CID 175346756) has the molecular formula C18H11F3O and a molecular weight of 300.28 g/mol. Its IUPAC name is 4-[4-(3,4-difluorophenyl)-2-fluorophenyl]phenol.

Molecular Properties

Compound Name4-[4-(3,4-difluorophenyl)-2-fluorophenyl]phenol
PubChem CID175346756
Molecular FormulaC18H11F3O
Molecular Weight300.28 g/mol
Exact Mass300.08
IUPAC Name4-[4-(3,4-difluorophenyl)-2-fluorophenyl]phenol
SMILESOc1ccc(-c2ccc(-c3ccc(F)c(F)c3)cc2F)cc1
InChIInChI=1S/C18H11F3O/c19-16-8-4-13(10-18(16)21)12-3-7-15(17(20)9-12)11-1-5-14(22)6-2-11/h1-10,22H
InChIKeyKYWMTGOFDPMJDX-UHFFFAOYSA-N
XLogP5.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.28
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,4-difluorophenyl)-2-fluorophenyl]phenol?
The IUPAC name of 4-[4-(3,4-difluorophenyl)-2-fluorophenyl]phenol (CID 175346756) is 4-[4-(3,4-difluorophenyl)-2-fluorophenyl]phenol.
What is the SMILES notation for 4-[4-(3,4-difluorophenyl)-2-fluorophenyl]phenol?
The canonical SMILES for 4-[4-(3,4-difluorophenyl)-2-fluorophenyl]phenol is Oc1ccc(-c2ccc(-c3ccc(F)c(F)c3)cc2F)cc1.
What is the InChIKey of 4-[4-(3,4-difluorophenyl)-2-fluorophenyl]phenol?
The InChIKey is KYWMTGOFDPMJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3O/c19-16-8-4-13(10-18(16)21)12-3-7-15(17(20)9-12)11-1-5-14(22)6-2-11/h1-10,22H.
What are the key properties of 4-[4-(3,4-difluorophenyl)-2-fluorophenyl]phenol?
4-[4-(3,4-difluorophenyl)-2-fluorophenyl]phenol has a molecular weight of 300.28 g/mol, XLogP of 5.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,4-difluorophenyl)-2-fluorophenyl]phenol is sourced from PubChem (CID 175346756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).