5-[(E)-1-(3-fluorophenyl)prop-1-en-2-yl]benzene-1,3-diol

C15H13FO2 — CID 44563808

IUPAC5-[(E)-1-(3-fluorophenyl)prop-1-en-2-yl]benzene-1,3-diol
SMILESC/C(=C\c1cccc(F)c1)c1cc(O)cc(O)c1
InChIInChI=1S/C15H13FO2/c1-10(5-11-3-2-4-13(16)6-11)12-7-14(17)9-15(18)8-12/h2-9,17-18H,1H3/b10-5+
InChIKeyVJYCOEIIIBNIEJ-BJMVGYQFSA-N
MW244.26 g/mol
LogP3.80
Rot. Bonds2

About 5-[(E)-1-(3-fluorophenyl)prop-1-en-2-yl]benzene-1,3-diol

5-[(E)-1-(3-fluorophenyl)prop-1-en-2-yl]benzene-1,3-diol (PubChem CID 44563808) has the molecular formula C15H13FO2 and a molecular weight of 244.26 g/mol. Its IUPAC name is 5-[(E)-1-(3-fluorophenyl)prop-1-en-2-yl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[(E)-1-(3-fluorophenyl)prop-1-en-2-yl]benzene-1,3-diol
PubChem CID44563808
Molecular FormulaC15H13FO2
Molecular Weight244.26 g/mol
Exact Mass244.09
IUPAC Name5-[(E)-1-(3-fluorophenyl)prop-1-en-2-yl]benzene-1,3-diol
SMILESC/C(=C\c1cccc(F)c1)c1cc(O)cc(O)c1
InChIInChI=1S/C15H13FO2/c1-10(5-11-3-2-4-13(16)6-11)12-7-14(17)9-15(18)8-12/h2-9,17-18H,1H3/b10-5+
InChIKeyVJYCOEIIIBNIEJ-BJMVGYQFSA-N
XLogP3.80
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 53.80
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-[(E)-1-(3-fluorophenyl)prop-1-en-2-yl]benzene-1,3-diol?
The IUPAC name of 5-[(E)-1-(3-fluorophenyl)prop-1-en-2-yl]benzene-1,3-diol (CID 44563808) is 5-[(E)-1-(3-fluorophenyl)prop-1-en-2-yl]benzene-1,3-diol.
What is the SMILES notation for 5-[(E)-1-(3-fluorophenyl)prop-1-en-2-yl]benzene-1,3-diol?
The canonical SMILES for 5-[(E)-1-(3-fluorophenyl)prop-1-en-2-yl]benzene-1,3-diol is C/C(=C\c1cccc(F)c1)c1cc(O)cc(O)c1.
What is the InChIKey of 5-[(E)-1-(3-fluorophenyl)prop-1-en-2-yl]benzene-1,3-diol?
The InChIKey is VJYCOEIIIBNIEJ-BJMVGYQFSA-N. The full InChI is InChI=1S/C15H13FO2/c1-10(5-11-3-2-4-13(16)6-11)12-7-14(17)9-15(18)8-12/h2-9,17-18H,1H3/b10-5+.
What are the key properties of 5-[(E)-1-(3-fluorophenyl)prop-1-en-2-yl]benzene-1,3-diol?
5-[(E)-1-(3-fluorophenyl)prop-1-en-2-yl]benzene-1,3-diol has a molecular weight of 244.26 g/mol, XLogP of 3.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-1-(3-fluorophenyl)prop-1-en-2-yl]benzene-1,3-diol is sourced from PubChem (CID 44563808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).