(E)-4-[4-(3-fluorophenyl)phenyl]-3-methylbut-2-enoic acid

C17H15FO2 — CID 82544060

IUPAC(E)-4-[4-(3-fluorophenyl)phenyl]-3-methylbut-2-enoic acid
SMILESC/C(=C\C(=O)O)Cc1ccc(-c2cccc(F)c2)cc1
InChIInChI=1S/C17H15FO2/c1-12(10-17(19)20)9-13-5-7-14(8-6-13)15-3-2-4-16(18)11-15/h2-8,10-11H,9H2,1H3,(H,19,20)/b12-10+
InChIKeyLEKHYOVNWGPNFW-ZRDIBKRKSA-N
MW270.30 g/mol
LogP4.07
Rot. Bonds4

About (E)-4-[4-(3-fluorophenyl)phenyl]-3-methylbut-2-enoic acid

(E)-4-[4-(3-fluorophenyl)phenyl]-3-methylbut-2-enoic acid (PubChem CID 82544060) has the molecular formula C17H15FO2 and a molecular weight of 270.30 g/mol. Its IUPAC name is (E)-4-[4-(3-fluorophenyl)phenyl]-3-methylbut-2-enoic acid.

Molecular Properties

Compound Name(E)-4-[4-(3-fluorophenyl)phenyl]-3-methylbut-2-enoic acid
PubChem CID82544060
Molecular FormulaC17H15FO2
Molecular Weight270.30 g/mol
Exact Mass270.11
IUPAC Name(E)-4-[4-(3-fluorophenyl)phenyl]-3-methylbut-2-enoic acid
SMILESC/C(=C\C(=O)O)Cc1ccc(-c2cccc(F)c2)cc1
InChIInChI=1S/C17H15FO2/c1-12(10-17(19)20)9-13-5-7-14(8-6-13)15-3-2-4-16(18)11-15/h2-8,10-11H,9H2,1H3,(H,19,20)/b12-10+
InChIKeyLEKHYOVNWGPNFW-ZRDIBKRKSA-N
XLogP4.07
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-[4-(3,4-difluorophenyl)phenyl]-3-methylbut-2-enoic acid
CID 82543948
2-[4-(3-fluorophenyl)phenyl]acetic acid;methane
CID 67899912
2-[4-(3-fluorophenyl)phenyl]acetamide
CID 143262038
3-methyl-4-phenylbut-2-enoic acid
CID 22414
(E)-3-methyl-5-[3-(4-methylphenyl)phenyl]pent-2-enoic acid
CID 82544146
(Z)-4-[(3-fluorophenyl)methylamino]-3-methylbut-2-enoic acid
CID 103236482
1-fluoro-3-[4-(methoxymethyl)phenyl]benzene
CID 143262024
(2S)-2-[[4-(3-fluorophenyl)phenyl]methylamino]propanamide
CID 121266382
(E)-4-(3-methoxycarbonylphenyl)-3-methylbut-2-enoic acid
CID 67693748
1-[2-chloro-4-(3-fluorophenyl)phenyl]ethanone
CID 82770292
2-[3-(4-ethylphenyl)phenyl]acetic acid
CID 1393629
2-[[4-(3-fluorophenyl)phenyl]methylamino]prop-2-enamide
CID 163711499

Frequently Asked Questions

What is the IUPAC name of (E)-4-[4-(3-fluorophenyl)phenyl]-3-methylbut-2-enoic acid?
The IUPAC name of (E)-4-[4-(3-fluorophenyl)phenyl]-3-methylbut-2-enoic acid (CID 82544060) is (E)-4-[4-(3-fluorophenyl)phenyl]-3-methylbut-2-enoic acid.
What is the SMILES notation for (E)-4-[4-(3-fluorophenyl)phenyl]-3-methylbut-2-enoic acid?
The canonical SMILES for (E)-4-[4-(3-fluorophenyl)phenyl]-3-methylbut-2-enoic acid is C/C(=C\C(=O)O)Cc1ccc(-c2cccc(F)c2)cc1.
What is the InChIKey of (E)-4-[4-(3-fluorophenyl)phenyl]-3-methylbut-2-enoic acid?
The InChIKey is LEKHYOVNWGPNFW-ZRDIBKRKSA-N. The full InChI is InChI=1S/C17H15FO2/c1-12(10-17(19)20)9-13-5-7-14(8-6-13)15-3-2-4-16(18)11-15/h2-8,10-11H,9H2,1H3,(H,19,20)/b12-10+.
What are the key properties of (E)-4-[4-(3-fluorophenyl)phenyl]-3-methylbut-2-enoic acid?
(E)-4-[4-(3-fluorophenyl)phenyl]-3-methylbut-2-enoic acid has a molecular weight of 270.30 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[4-(3-fluorophenyl)phenyl]-3-methylbut-2-enoic acid is sourced from PubChem (CID 82544060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).