(2R)-2-[4-[(Z)-3-(4-ethylphenyl)prop-2-enoyl]phenoxy]propanoic acid

C20H20O4 — CID 92932031

IUPAC(2R)-2-[4-[(Z)-3-(4-ethylphenyl)prop-2-enoyl]phenoxy]propanoic acid
SMILESCCc1ccc(/C=C\C(=O)c2ccc(O[C@H](C)C(=O)O)cc2)cc1
InChIInChI=1S/C20H20O4/c1-3-15-4-6-16(7-5-15)8-13-19(21)17-9-11-18(12-10-17)24-14(2)20(22)23/h4-14H,3H2,1-2H3,(H,22,23)/b13-8-/t14-/m1/s1
InChIKeyDGAXHWAWLJCYHO-YLHGKKIISA-N
MW324.38 g/mol
LogP4.00
Rot. Bonds7

About (2R)-2-[4-[(Z)-3-(4-ethylphenyl)prop-2-enoyl]phenoxy]propanoic acid

(2R)-2-[4-[(Z)-3-(4-ethylphenyl)prop-2-enoyl]phenoxy]propanoic acid (PubChem CID 92932031) has the molecular formula C20H20O4 and a molecular weight of 324.38 g/mol. Its IUPAC name is (2R)-2-[4-[(Z)-3-(4-ethylphenyl)prop-2-enoyl]phenoxy]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[4-[(Z)-3-(4-ethylphenyl)prop-2-enoyl]phenoxy]propanoic acid
PubChem CID92932031
Molecular FormulaC20H20O4
Molecular Weight324.38 g/mol
Exact Mass324.14
IUPAC Name(2R)-2-[4-[(Z)-3-(4-ethylphenyl)prop-2-enoyl]phenoxy]propanoic acid
SMILESCCc1ccc(/C=C\C(=O)c2ccc(O[C@H](C)C(=O)O)cc2)cc1
InChIInChI=1S/C20H20O4/c1-3-15-4-6-16(7-5-15)8-13-19(21)17-9-11-18(12-10-17)24-14(2)20(22)23/h4-14H,3H2,1-2H3,(H,22,23)/b13-8-/t14-/m1/s1
InChIKeyDGAXHWAWLJCYHO-YLHGKKIISA-N
XLogP4.00
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R)-2-[4-[(Z)-3-(4-ethylphenyl)prop-2-enoyl]phenoxy]propanoic acid with MolForge

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Related Compounds

2-[4-[(E)-3-(4-ethylphenyl)prop-2-enoyl]phenoxy]acetic acid
CID 7973015
4-[(E)-3-(4-ethylphenyl)-3-oxoprop-1-enyl]benzoic acid
CID 9448299
(E)-3-(4-ethylphenyl)-1-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 19557392
(E)-1-(4-bromophenyl)-3-(4-ethylphenyl)prop-2-en-1-one
CID 19541409
methyl 4-[(E)-3-oxo-3-(4-propan-2-yloxyphenyl)prop-1-enyl]benzoate
CID 8829761
2-[4-(3-phenylprop-2-enoyl)phenoxy]propanedioic acid
CID 70588665
1-(4-ethylphenyl)-3-pyridin-4-ylprop-2-en-1-one
CID 3307819
(E)-1-[4-(2-methylpropyl)phenyl]-3-[4-[(E)-3-[4-(2-methylpropyl)phenyl]-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
CID 21040458
3-[4-[2-(4-ethylphenoxy)ethoxy]phenyl]prop-2-enoic acid
CID 20993275
(E)-3-(4-ethylphenyl)-1-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]prop-2-en-1-one
CID 8814820
(E)-3-(4-ethylphenyl)-1-naphthalen-2-ylprop-2-en-1-one
CID 19561296
methyl 4-[[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenoxy]methyl]benzoate
CID 7946008

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[(Z)-3-(4-ethylphenyl)prop-2-enoyl]phenoxy]propanoic acid?
The IUPAC name of (2R)-2-[4-[(Z)-3-(4-ethylphenyl)prop-2-enoyl]phenoxy]propanoic acid (CID 92932031) is (2R)-2-[4-[(Z)-3-(4-ethylphenyl)prop-2-enoyl]phenoxy]propanoic acid.
What is the SMILES notation for (2R)-2-[4-[(Z)-3-(4-ethylphenyl)prop-2-enoyl]phenoxy]propanoic acid?
The canonical SMILES for (2R)-2-[4-[(Z)-3-(4-ethylphenyl)prop-2-enoyl]phenoxy]propanoic acid is CCc1ccc(/C=C\C(=O)c2ccc(O[C@H](C)C(=O)O)cc2)cc1.
What is the InChIKey of (2R)-2-[4-[(Z)-3-(4-ethylphenyl)prop-2-enoyl]phenoxy]propanoic acid?
The InChIKey is DGAXHWAWLJCYHO-YLHGKKIISA-N. The full InChI is InChI=1S/C20H20O4/c1-3-15-4-6-16(7-5-15)8-13-19(21)17-9-11-18(12-10-17)24-14(2)20(22)23/h4-14H,3H2,1-2H3,(H,22,23)/b13-8-/t14-/m1/s1.
What are the key properties of (2R)-2-[4-[(Z)-3-(4-ethylphenyl)prop-2-enoyl]phenoxy]propanoic acid?
(2R)-2-[4-[(Z)-3-(4-ethylphenyl)prop-2-enoyl]phenoxy]propanoic acid has a molecular weight of 324.38 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-[(Z)-3-(4-ethylphenyl)prop-2-enoyl]phenoxy]propanoic acid is sourced from PubChem (CID 92932031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).