5-[2-(3-fluorophenyl)ethenyl]benzene-1,3-diol

C14H11FO2 — CID 75071270

IUPAC5-[2-(3-fluorophenyl)ethenyl]benzene-1,3-diol
SMILESOc1cc(O)cc(C=Cc2cccc(F)c2)c1
InChIInChI=1S/C14H11FO2/c15-12-3-1-2-10(6-12)4-5-11-7-13(16)9-14(17)8-11/h1-9,16-17H
InChIKeyMMDDHOZYUASFIP-UHFFFAOYSA-N
MW230.24 g/mol
LogP3.41
Rot. Bonds2

About 5-[2-(3-fluorophenyl)ethenyl]benzene-1,3-diol

5-[2-(3-fluorophenyl)ethenyl]benzene-1,3-diol (PubChem CID 75071270) has the molecular formula C14H11FO2 and a molecular weight of 230.24 g/mol. Its IUPAC name is 5-[2-(3-fluorophenyl)ethenyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[2-(3-fluorophenyl)ethenyl]benzene-1,3-diol
PubChem CID75071270
Molecular FormulaC14H11FO2
Molecular Weight230.24 g/mol
Exact Mass230.07
IUPAC Name5-[2-(3-fluorophenyl)ethenyl]benzene-1,3-diol
SMILESOc1cc(O)cc(C=Cc2cccc(F)c2)c1
InChIInChI=1S/C14H11FO2/c15-12-3-1-2-10(6-12)4-5-11-7-13(16)9-14(17)8-11/h1-9,16-17H
InChIKeyMMDDHOZYUASFIP-UHFFFAOYSA-N
XLogP3.41
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 53.41
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

5-[(E)-2-(3-fluorophenyl)ethenyl]benzene-1,3-diol
CID 44563802
1-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]benzene
CID 11148621
5-[(E)-1-(3-fluorophenyl)prop-1-en-2-yl]benzene-1,3-diol
CID 44563808
(1E,4E)-1-(3-fluorophenyl)-5-(3-hydroxyphenyl)penta-1,4-dien-3-one
CID 56839366
3-[(E)-2-(4-fluorophenyl)ethenyl]phenol
CID 124660787
1-[2-(3-fluorophenyl)ethenyl]-3,5-bis(trifluoromethyl)benzene
CID 175767255
2-cyclopentyl-5-[(E)-2-(3-fluorophenyl)ethenyl]benzene-1,3-diol
CID 170351043
1-fluoro-3-[(Z)-2-(4-methoxyphenyl)ethenyl]benzene
CID 89327803
2-cyclohexyl-5-[(E)-2-(3-fluorophenyl)ethenyl]benzene-1,3-diol
CID 170350956
2-[2-(3-fluorophenyl)ethenyl]naphthalene
CID 68615723
ethane;3-fluoro-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenol
CID 143083538
4-[(E)-2-(3-fluorophenyl)ethenyl]benzoic acid
CID 170326010

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-fluorophenyl)ethenyl]benzene-1,3-diol?
The IUPAC name of 5-[2-(3-fluorophenyl)ethenyl]benzene-1,3-diol (CID 75071270) is 5-[2-(3-fluorophenyl)ethenyl]benzene-1,3-diol.
What is the SMILES notation for 5-[2-(3-fluorophenyl)ethenyl]benzene-1,3-diol?
The canonical SMILES for 5-[2-(3-fluorophenyl)ethenyl]benzene-1,3-diol is Oc1cc(O)cc(C=Cc2cccc(F)c2)c1.
What is the InChIKey of 5-[2-(3-fluorophenyl)ethenyl]benzene-1,3-diol?
The InChIKey is MMDDHOZYUASFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FO2/c15-12-3-1-2-10(6-12)4-5-11-7-13(16)9-14(17)8-11/h1-9,16-17H.
What are the key properties of 5-[2-(3-fluorophenyl)ethenyl]benzene-1,3-diol?
5-[2-(3-fluorophenyl)ethenyl]benzene-1,3-diol has a molecular weight of 230.24 g/mol, XLogP of 3.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-fluorophenyl)ethenyl]benzene-1,3-diol is sourced from PubChem (CID 75071270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).