4-(3,4-difluorophenyl)-6-propan-2-ylbenzene-1,3-diol

C15H14F2O2 — CID 68897164

IUPAC4-(3,4-difluorophenyl)-6-propan-2-ylbenzene-1,3-diol
SMILESCC(C)c1cc(-c2ccc(F)c(F)c2)c(O)cc1O
InChIInChI=1S/C15H14F2O2/c1-8(2)10-6-11(15(19)7-14(10)18)9-3-4-12(16)13(17)5-9/h3-8,18-19H,1-2H3
InChIKeyWUQAHEHDQAKSGM-UHFFFAOYSA-N
MW264.27 g/mol
LogP4.17
Rot. Bonds2

About 4-(3,4-difluorophenyl)-6-propan-2-ylbenzene-1,3-diol

4-(3,4-difluorophenyl)-6-propan-2-ylbenzene-1,3-diol (PubChem CID 68897164) has the molecular formula C15H14F2O2 and a molecular weight of 264.27 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-6-propan-2-ylbenzene-1,3-diol.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)-6-propan-2-ylbenzene-1,3-diol
PubChem CID68897164
Molecular FormulaC15H14F2O2
Molecular Weight264.27 g/mol
Exact Mass264.10
IUPAC Name4-(3,4-difluorophenyl)-6-propan-2-ylbenzene-1,3-diol
SMILESCC(C)c1cc(-c2ccc(F)c(F)c2)c(O)cc1O
InChIInChI=1S/C15H14F2O2/c1-8(2)10-6-11(15(19)7-14(10)18)9-3-4-12(16)13(17)5-9/h3-8,18-19H,1-2H3
InChIKeyWUQAHEHDQAKSGM-UHFFFAOYSA-N
XLogP4.17
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)-6-propan-2-ylbenzene-1,3-diol?
The IUPAC name of 4-(3,4-difluorophenyl)-6-propan-2-ylbenzene-1,3-diol (CID 68897164) is 4-(3,4-difluorophenyl)-6-propan-2-ylbenzene-1,3-diol.
What is the SMILES notation for 4-(3,4-difluorophenyl)-6-propan-2-ylbenzene-1,3-diol?
The canonical SMILES for 4-(3,4-difluorophenyl)-6-propan-2-ylbenzene-1,3-diol is CC(C)c1cc(-c2ccc(F)c(F)c2)c(O)cc1O.
What is the InChIKey of 4-(3,4-difluorophenyl)-6-propan-2-ylbenzene-1,3-diol?
The InChIKey is WUQAHEHDQAKSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2O2/c1-8(2)10-6-11(15(19)7-14(10)18)9-3-4-12(16)13(17)5-9/h3-8,18-19H,1-2H3.
What are the key properties of 4-(3,4-difluorophenyl)-6-propan-2-ylbenzene-1,3-diol?
4-(3,4-difluorophenyl)-6-propan-2-ylbenzene-1,3-diol has a molecular weight of 264.27 g/mol, XLogP of 4.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)-6-propan-2-ylbenzene-1,3-diol is sourced from PubChem (CID 68897164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).