ethane;3-fluoro-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenol

C16H17FO2 — CID 143083538

IUPACethane;3-fluoro-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenol
SMILESCC.Oc1ccc(/C=C/c2cc(O)cc(F)c2)cc1
InChIInChI=1S/C14H11FO2.C2H6/c15-12-7-11(8-14(17)9-12)2-1-10-3-5-13(16)6-4-10;1-2/h1-9,16-17H;1-2H3/b2-1+;
InChIKeyJWKPSXAFTZDPAM-TYYBGVCCSA-N
MW260.31 g/mol
LogP4.43
Rot. Bonds2

About ethane;3-fluoro-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenol

ethane;3-fluoro-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenol (PubChem CID 143083538) has the molecular formula C16H17FO2 and a molecular weight of 260.31 g/mol. Its IUPAC name is ethane;3-fluoro-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenol.

Molecular Properties

Compound Nameethane;3-fluoro-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenol
PubChem CID143083538
Molecular FormulaC16H17FO2
Molecular Weight260.31 g/mol
Exact Mass260.12
IUPAC Nameethane;3-fluoro-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenol
SMILESCC.Oc1ccc(/C=C/c2cc(O)cc(F)c2)cc1
InChIInChI=1S/C14H11FO2.C2H6/c15-12-7-11(8-14(17)9-12)2-1-10-3-5-13(16)6-4-10;1-2/h1-9,16-17H;1-2H3/b2-1+;
InChIKeyJWKPSXAFTZDPAM-TYYBGVCCSA-N
XLogP4.43
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 54.43
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 ethane;3-fluoro-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenol?
The IUPAC name of ethane;3-fluoro-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenol (CID 143083538) is ethane;3-fluoro-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenol.
What is the SMILES notation for ethane;3-fluoro-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenol?
The canonical SMILES for ethane;3-fluoro-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenol is CC.Oc1ccc(/C=C/c2cc(O)cc(F)c2)cc1.
What is the InChIKey of ethane;3-fluoro-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenol?
The InChIKey is JWKPSXAFTZDPAM-TYYBGVCCSA-N. The full InChI is InChI=1S/C14H11FO2.C2H6/c15-12-7-11(8-14(17)9-12)2-1-10-3-5-13(16)6-4-10;1-2/h1-9,16-17H;1-2H3/b2-1+;.
What are the key properties of ethane;3-fluoro-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenol?
ethane;3-fluoro-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenol has a molecular weight of 260.31 g/mol, XLogP of 4.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-fluoro-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenol is sourced from PubChem (CID 143083538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).