5-[2-(2,4-difluorophenyl)ethenyl]-2-propan-2-ylbenzene-1,3-diol

C17H16F2O2 — CID 66843192

IUPAC5-[2-(2,4-difluorophenyl)ethenyl]-2-propan-2-ylbenzene-1,3-diol
SMILESCC(C)c1c(O)cc(C=Cc2ccc(F)cc2F)cc1O
InChIInChI=1S/C17H16F2O2/c1-10(2)17-15(20)7-11(8-16(17)21)3-4-12-5-6-13(18)9-14(12)19/h3-10,20-21H,1-2H3
InChIKeyFDMRMOBHDWJBJL-UHFFFAOYSA-N
MW290.31 g/mol
LogP4.67
Rot. Bonds3

About 5-[2-(2,4-difluorophenyl)ethenyl]-2-propan-2-ylbenzene-1,3-diol

5-[2-(2,4-difluorophenyl)ethenyl]-2-propan-2-ylbenzene-1,3-diol (PubChem CID 66843192) has the molecular formula C17H16F2O2 and a molecular weight of 290.31 g/mol. Its IUPAC name is 5-[2-(2,4-difluorophenyl)ethenyl]-2-propan-2-ylbenzene-1,3-diol.

Molecular Properties

Compound Name5-[2-(2,4-difluorophenyl)ethenyl]-2-propan-2-ylbenzene-1,3-diol
PubChem CID66843192
Molecular FormulaC17H16F2O2
Molecular Weight290.31 g/mol
Exact Mass290.11
IUPAC Name5-[2-(2,4-difluorophenyl)ethenyl]-2-propan-2-ylbenzene-1,3-diol
SMILESCC(C)c1c(O)cc(C=Cc2ccc(F)cc2F)cc1O
InChIInChI=1S/C17H16F2O2/c1-10(2)17-15(20)7-11(8-16(17)21)3-4-12-5-6-13(18)9-14(12)19/h3-10,20-21H,1-2H3
InChIKeyFDMRMOBHDWJBJL-UHFFFAOYSA-N
XLogP4.67
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,4-difluorophenyl)ethenyl]-2-propan-2-ylbenzene-1,3-diol?
The IUPAC name of 5-[2-(2,4-difluorophenyl)ethenyl]-2-propan-2-ylbenzene-1,3-diol (CID 66843192) is 5-[2-(2,4-difluorophenyl)ethenyl]-2-propan-2-ylbenzene-1,3-diol.
What is the SMILES notation for 5-[2-(2,4-difluorophenyl)ethenyl]-2-propan-2-ylbenzene-1,3-diol?
The canonical SMILES for 5-[2-(2,4-difluorophenyl)ethenyl]-2-propan-2-ylbenzene-1,3-diol is CC(C)c1c(O)cc(C=Cc2ccc(F)cc2F)cc1O.
What is the InChIKey of 5-[2-(2,4-difluorophenyl)ethenyl]-2-propan-2-ylbenzene-1,3-diol?
The InChIKey is FDMRMOBHDWJBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2O2/c1-10(2)17-15(20)7-11(8-16(17)21)3-4-12-5-6-13(18)9-14(12)19/h3-10,20-21H,1-2H3.
What are the key properties of 5-[2-(2,4-difluorophenyl)ethenyl]-2-propan-2-ylbenzene-1,3-diol?
5-[2-(2,4-difluorophenyl)ethenyl]-2-propan-2-ylbenzene-1,3-diol has a molecular weight of 290.31 g/mol, XLogP of 4.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,4-difluorophenyl)ethenyl]-2-propan-2-ylbenzene-1,3-diol is sourced from PubChem (CID 66843192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).