(Z)-3-(3-fluorophenyl)-2-(4-hydroxyphenyl)prop-2-enoic acid

C15H11FO3 — CID 83952465

IUPAC(Z)-3-(3-fluorophenyl)-2-(4-hydroxyphenyl)prop-2-enoic acid
SMILESO=C(O)/C(=C\c1cccc(F)c1)c1ccc(O)cc1
InChIInChI=1S/C15H11FO3/c16-12-3-1-2-10(8-12)9-14(15(18)19)11-4-6-13(17)7-5-11/h1-9,17H,(H,18,19)/b14-9-
InChIKeyHLZFUBTZXFBQGU-ZROIWOOFSA-N
MW258.25 g/mol
LogP3.16
Rot. Bonds3

About (Z)-3-(3-fluorophenyl)-2-(4-hydroxyphenyl)prop-2-enoic acid

(Z)-3-(3-fluorophenyl)-2-(4-hydroxyphenyl)prop-2-enoic acid (PubChem CID 83952465) has the molecular formula C15H11FO3 and a molecular weight of 258.25 g/mol. Its IUPAC name is (Z)-3-(3-fluorophenyl)-2-(4-hydroxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-(3-fluorophenyl)-2-(4-hydroxyphenyl)prop-2-enoic acid
PubChem CID83952465
Molecular FormulaC15H11FO3
Molecular Weight258.25 g/mol
Exact Mass258.07
IUPAC Name(Z)-3-(3-fluorophenyl)-2-(4-hydroxyphenyl)prop-2-enoic acid
SMILESO=C(O)/C(=C\c1cccc(F)c1)c1ccc(O)cc1
InChIInChI=1S/C15H11FO3/c16-12-3-1-2-10(8-12)9-14(15(18)19)11-4-6-13(17)7-5-11/h1-9,17H,(H,18,19)/b14-9-
InChIKeyHLZFUBTZXFBQGU-ZROIWOOFSA-N
XLogP3.16
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-(3-fluorophenyl)-2-(4-fluorophenyl)prop-2-enoic acid
CID 83952444
(Z)-3-(3-fluorophenyl)-2-(4-methylphenyl)prop-2-enoic acid
CID 83952437
(Z)-2-(4-ethylphenyl)-3-(3-fluorophenyl)prop-2-enoic acid
CID 83952457
(Z)-2-(3,4-dimethylphenyl)-3-(3-fluorophenyl)prop-2-enoic acid
CID 83952414
(Z)-2-(1,3-benzodioxol-5-yl)-3-(3-fluorophenyl)prop-2-enoic acid
CID 83952460
3-(4-fluoro-3-methylphenyl)-2-(4-hydroxyphenyl)prop-2-enoic acid
CID 68771969
bis((E)-2-(4-chlorophenyl)-3-(3-fluorophenyl)prop-2-enoic acid);dibenzyltin
CID 11251476
(Z)-2-(4-hydroxyphenyl)-3-naphthalen-2-ylprop-2-enoic acid
CID 67704998
(Z)-2-(3-chloro-4-methoxyphenyl)-3-(3-fluorophenyl)prop-2-enoic acid
CID 83952468
(Z)-2-(2,4-dimethylphenyl)-3-(3-fluorophenyl)prop-2-enoic acid
CID 83952415
(Z)-3-(3-fluorophenyl)-2-methylprop-2-enoic acid
CID 131513172
(E)-3-(3-aminophenyl)-2-phenylprop-2-enoic acid
CID 102461525

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3-fluorophenyl)-2-(4-hydroxyphenyl)prop-2-enoic acid?
The IUPAC name of (Z)-3-(3-fluorophenyl)-2-(4-hydroxyphenyl)prop-2-enoic acid (CID 83952465) is (Z)-3-(3-fluorophenyl)-2-(4-hydroxyphenyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-3-(3-fluorophenyl)-2-(4-hydroxyphenyl)prop-2-enoic acid?
The canonical SMILES for (Z)-3-(3-fluorophenyl)-2-(4-hydroxyphenyl)prop-2-enoic acid is O=C(O)/C(=C\c1cccc(F)c1)c1ccc(O)cc1.
What is the InChIKey of (Z)-3-(3-fluorophenyl)-2-(4-hydroxyphenyl)prop-2-enoic acid?
The InChIKey is HLZFUBTZXFBQGU-ZROIWOOFSA-N. The full InChI is InChI=1S/C15H11FO3/c16-12-3-1-2-10(8-12)9-14(15(18)19)11-4-6-13(17)7-5-11/h1-9,17H,(H,18,19)/b14-9-.
What are the key properties of (Z)-3-(3-fluorophenyl)-2-(4-hydroxyphenyl)prop-2-enoic acid?
(Z)-3-(3-fluorophenyl)-2-(4-hydroxyphenyl)prop-2-enoic acid has a molecular weight of 258.25 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3-fluorophenyl)-2-(4-hydroxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 83952465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).