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

C17H16F2O2 — CID 175586719

IUPAC4-fluoro-5-[2-(2-fluorophenyl)ethenyl]-2-propan-2-ylbenzene-1,3-diol
SMILESCC(C)c1c(O)cc(C=Cc2ccccc2F)c(F)c1O
InChIInChI=1S/C17H16F2O2/c1-10(2)15-14(20)9-12(16(19)17(15)21)8-7-11-5-3-4-6-13(11)18/h3-10,20-21H,1-2H3
InChIKeyWIRZVQAWDLZEFE-UHFFFAOYSA-N
MW290.31 g/mol
LogP4.67
Rot. Bonds3

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

4-fluoro-5-[2-(2-fluorophenyl)ethenyl]-2-propan-2-ylbenzene-1,3-diol (PubChem CID 175586719) has the molecular formula C17H16F2O2 and a molecular weight of 290.31 g/mol. Its IUPAC name is 4-fluoro-5-[2-(2-fluorophenyl)ethenyl]-2-propan-2-ylbenzene-1,3-diol.

Molecular Properties

Compound Name4-fluoro-5-[2-(2-fluorophenyl)ethenyl]-2-propan-2-ylbenzene-1,3-diol
PubChem CID175586719
Molecular FormulaC17H16F2O2
Molecular Weight290.31 g/mol
Exact Mass290.11
IUPAC Name4-fluoro-5-[2-(2-fluorophenyl)ethenyl]-2-propan-2-ylbenzene-1,3-diol
SMILESCC(C)c1c(O)cc(C=Cc2ccccc2F)c(F)c1O
InChIInChI=1S/C17H16F2O2/c1-10(2)15-14(20)9-12(16(19)17(15)21)8-7-11-5-3-4-6-13(11)18/h3-10,20-21H,1-2H3
InChIKeyWIRZVQAWDLZEFE-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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Related Compounds

4-fluoro-5-[(E)-2-(3-fluoro-2-pyridinyl)ethenyl]-2-propan-2-ylbenzene-1,3-diol
CID 171099506
2,6-dibromo-4-[(E)-2-(2-fluorophenyl)ethenyl]phenol
CID 45257478
5-[2-(2,4-difluorophenyl)ethenyl]-2-propan-2-ylbenzene-1,3-diol
CID 66843192
4,5-difluoro-3-propan-2-ylbenzene-1,2-diol
CID 87961002
5-[(1E,3E)-4-phenylbuta-1,3-dienyl]-2-propan-2-ylbenzene-1,3-diol
CID 71488581
1,4-difluoro-2-[(E)-2-(2-fluorophenyl)ethenyl]benzene
CID 134146382
1-fluoro-2-[(Z)-4-methylpent-1-enyl]benzene
CID 84820301
1-fluoro-2-[(Z)-2-phenylethenyl]benzene
CID 46218050
1-fluoro-2-[(E)-2-[2-(methoxymethoxy)phenyl]ethenyl]benzene
CID 11253913
ethane;5-[(E)-2-phenylethenyl]-2-propan-2-ylbenzene-1,3-diol
CID 176681357
2,4-difluoro-3-propan-2-ylphenol
CID 147438122
3,4-difluoro-2-propan-2-ylphenol
CID 130384199

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-[2-(2-fluorophenyl)ethenyl]-2-propan-2-ylbenzene-1,3-diol?
The IUPAC name of 4-fluoro-5-[2-(2-fluorophenyl)ethenyl]-2-propan-2-ylbenzene-1,3-diol (CID 175586719) is 4-fluoro-5-[2-(2-fluorophenyl)ethenyl]-2-propan-2-ylbenzene-1,3-diol.
What is the SMILES notation for 4-fluoro-5-[2-(2-fluorophenyl)ethenyl]-2-propan-2-ylbenzene-1,3-diol?
The canonical SMILES for 4-fluoro-5-[2-(2-fluorophenyl)ethenyl]-2-propan-2-ylbenzene-1,3-diol is CC(C)c1c(O)cc(C=Cc2ccccc2F)c(F)c1O.
What is the InChIKey of 4-fluoro-5-[2-(2-fluorophenyl)ethenyl]-2-propan-2-ylbenzene-1,3-diol?
The InChIKey is WIRZVQAWDLZEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2O2/c1-10(2)15-14(20)9-12(16(19)17(15)21)8-7-11-5-3-4-6-13(11)18/h3-10,20-21H,1-2H3.
What are the key properties of 4-fluoro-5-[2-(2-fluorophenyl)ethenyl]-2-propan-2-ylbenzene-1,3-diol?
4-fluoro-5-[2-(2-fluorophenyl)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 4-fluoro-5-[2-(2-fluorophenyl)ethenyl]-2-propan-2-ylbenzene-1,3-diol is sourced from PubChem (CID 175586719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).