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

C16H13FO2 — CID 83952437

IUPAC(Z)-3-(3-fluorophenyl)-2-(4-methylphenyl)prop-2-enoic acid
SMILESCc1ccc(/C(=C/c2cccc(F)c2)C(=O)O)cc1
InChIInChI=1S/C16H13FO2/c1-11-5-7-13(8-6-11)15(16(18)19)10-12-3-2-4-14(17)9-12/h2-10H,1H3,(H,18,19)/b15-10-
InChIKeyKDEPEWIUJMUNRT-GDNBJRDFSA-N
MW256.28 g/mol
LogP3.76
Rot. Bonds3

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

(Z)-3-(3-fluorophenyl)-2-(4-methylphenyl)prop-2-enoic acid (PubChem CID 83952437) has the molecular formula C16H13FO2 and a molecular weight of 256.28 g/mol. Its IUPAC name is (Z)-3-(3-fluorophenyl)-2-(4-methylphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-(3-fluorophenyl)-2-(4-methylphenyl)prop-2-enoic acid
PubChem CID83952437
Molecular FormulaC16H13FO2
Molecular Weight256.28 g/mol
Exact Mass256.09
IUPAC Name(Z)-3-(3-fluorophenyl)-2-(4-methylphenyl)prop-2-enoic acid
SMILESCc1ccc(/C(=C/c2cccc(F)c2)C(=O)O)cc1
InChIInChI=1S/C16H13FO2/c1-11-5-7-13(8-6-11)15(16(18)19)10-12-3-2-4-14(17)9-12/h2-10H,1H3,(H,18,19)/b15-10-
InChIKeyKDEPEWIUJMUNRT-GDNBJRDFSA-N
XLogP3.76
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-hydroxyphenyl)prop-2-enoic acid
CID 83952465
(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-(2,4-dimethylphenyl)-3-(3-fluorophenyl)prop-2-enoic acid
CID 83952415
(Z)-2-(4-methylphenyl)-3-(3-propan-2-yloxyphenyl)prop-2-enoic acid
CID 83952197
(Z)-2-(4-methylphenyl)-3-(3-nitrophenyl)prop-2-enoic acid
CID 112721309
(Z)-2-(3-chloro-4-methoxyphenyl)-3-(3-fluorophenyl)prop-2-enoic acid
CID 83952468
(Z)-2-(1,3-benzodioxol-5-yl)-3-(3-fluorophenyl)prop-2-enoic acid
CID 83952460
bis((E)-2-(4-chlorophenyl)-3-(3-fluorophenyl)prop-2-enoic acid);dibenzyltin
CID 11251476
(Z)-3-(3-fluorophenyl)-2-methylprop-2-enoic acid
CID 131513172
actinium;(E)-2-(4-hydroxyphenyl)-3-(4-methylphenyl)prop-2-enoic acid
CID 59099672

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3-fluorophenyl)-2-(4-methylphenyl)prop-2-enoic acid?
The IUPAC name of (Z)-3-(3-fluorophenyl)-2-(4-methylphenyl)prop-2-enoic acid (CID 83952437) is (Z)-3-(3-fluorophenyl)-2-(4-methylphenyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-3-(3-fluorophenyl)-2-(4-methylphenyl)prop-2-enoic acid?
The canonical SMILES for (Z)-3-(3-fluorophenyl)-2-(4-methylphenyl)prop-2-enoic acid is Cc1ccc(/C(=C/c2cccc(F)c2)C(=O)O)cc1.
What is the InChIKey of (Z)-3-(3-fluorophenyl)-2-(4-methylphenyl)prop-2-enoic acid?
The InChIKey is KDEPEWIUJMUNRT-GDNBJRDFSA-N. The full InChI is InChI=1S/C16H13FO2/c1-11-5-7-13(8-6-11)15(16(18)19)10-12-3-2-4-14(17)9-12/h2-10H,1H3,(H,18,19)/b15-10-.
What are the key properties of (Z)-3-(3-fluorophenyl)-2-(4-methylphenyl)prop-2-enoic acid?
(Z)-3-(3-fluorophenyl)-2-(4-methylphenyl)prop-2-enoic acid has a molecular weight of 256.28 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3-fluorophenyl)-2-(4-methylphenyl)prop-2-enoic acid is sourced from PubChem (CID 83952437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).