(E)-3-[3-(4-methylphenoxy)-2-(4-methylphenyl)phenyl]prop-2-enoic acid

C23H20O3 — CID 175089680

IUPAC(E)-3-[3-(4-methylphenoxy)-2-(4-methylphenyl)phenyl]prop-2-enoic acid
SMILESCc1ccc(Oc2cccc(/C=C/C(=O)O)c2-c2ccc(C)cc2)cc1
InChIInChI=1S/C23H20O3/c1-16-6-10-19(11-7-16)23-18(12-15-22(24)25)4-3-5-21(23)26-20-13-8-17(2)9-14-20/h3-15H,1-2H3,(H,24,25)/b15-12+
InChIKeyOVZWIYXUAFXBFB-NTCAYCPXSA-N
MW344.41 g/mol
LogP5.86
Rot. Bonds5

About (E)-3-[3-(4-methylphenoxy)-2-(4-methylphenyl)phenyl]prop-2-enoic acid

(E)-3-[3-(4-methylphenoxy)-2-(4-methylphenyl)phenyl]prop-2-enoic acid (PubChem CID 175089680) has the molecular formula C23H20O3 and a molecular weight of 344.41 g/mol. Its IUPAC name is (E)-3-[3-(4-methylphenoxy)-2-(4-methylphenyl)phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[3-(4-methylphenoxy)-2-(4-methylphenyl)phenyl]prop-2-enoic acid
PubChem CID175089680
Molecular FormulaC23H20O3
Molecular Weight344.41 g/mol
Exact Mass344.14
IUPAC Name(E)-3-[3-(4-methylphenoxy)-2-(4-methylphenyl)phenyl]prop-2-enoic acid
SMILESCc1ccc(Oc2cccc(/C=C/C(=O)O)c2-c2ccc(C)cc2)cc1
InChIInChI=1S/C23H20O3/c1-16-6-10-19(11-7-16)23-18(12-15-22(24)25)4-3-5-21(23)26-20-13-8-17(2)9-14-20/h3-15H,1-2H3,(H,24,25)/b15-12+
InChIKeyOVZWIYXUAFXBFB-NTCAYCPXSA-N
XLogP5.86
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.41
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[3-(4-iodophenoxy)-2-(4-iodophenyl)phenyl]prop-2-enoic acid
CID 175349969
3-[2-(4-methylphenoxy)phenyl]prop-2-enoic acid
CID 737486
3-(2-phenoxyphenyl)prop-2-enoic acid
CID 737422
(E)-3-[2-(4-fluorophenoxy)phenyl]prop-2-enoic acid
CID 5399136
(E)-3-[2-methyl-3-(trifluoromethoxy)phenyl]prop-2-enoic acid
CID 134650054
(E)-3-(2-methyl-4-phenoxyphenyl)prop-2-enoic acid
CID 55038915
(E)-3-[4-(2-chloro-5-methylphenoxy)phenyl]prop-2-enoic acid
CID 43364461
3-[4-[4-(trifluoromethoxy)phenyl]-2-[4-(trifluoromethyl)phenoxy]phenyl]prop-2-enoic acid
CID 91136893
(E)-3-[2-[4-(2,2-dimethylpropyl)phenoxy]-4-[4-(trifluoromethoxy)phenyl]phenyl]prop-2-enoic acid
CID 89139566
1,5-bis(4-methylphenoxy)naphthalene;methane
CID 159940982
(E)-3-(4-methylphenyl)prop-2-enoic acid
CID 731767
(E)-3-(2-phenoxyphenyl)prop-2-enamide
CID 1490836

Frequently Asked Questions

What is the IUPAC name of (E)-3-[3-(4-methylphenoxy)-2-(4-methylphenyl)phenyl]prop-2-enoic acid?
The IUPAC name of (E)-3-[3-(4-methylphenoxy)-2-(4-methylphenyl)phenyl]prop-2-enoic acid (CID 175089680) is (E)-3-[3-(4-methylphenoxy)-2-(4-methylphenyl)phenyl]prop-2-enoic acid.
What is the SMILES notation for (E)-3-[3-(4-methylphenoxy)-2-(4-methylphenyl)phenyl]prop-2-enoic acid?
The canonical SMILES for (E)-3-[3-(4-methylphenoxy)-2-(4-methylphenyl)phenyl]prop-2-enoic acid is Cc1ccc(Oc2cccc(/C=C/C(=O)O)c2-c2ccc(C)cc2)cc1.
What is the InChIKey of (E)-3-[3-(4-methylphenoxy)-2-(4-methylphenyl)phenyl]prop-2-enoic acid?
The InChIKey is OVZWIYXUAFXBFB-NTCAYCPXSA-N. The full InChI is InChI=1S/C23H20O3/c1-16-6-10-19(11-7-16)23-18(12-15-22(24)25)4-3-5-21(23)26-20-13-8-17(2)9-14-20/h3-15H,1-2H3,(H,24,25)/b15-12+.
What are the key properties of (E)-3-[3-(4-methylphenoxy)-2-(4-methylphenyl)phenyl]prop-2-enoic acid?
(E)-3-[3-(4-methylphenoxy)-2-(4-methylphenyl)phenyl]prop-2-enoic acid has a molecular weight of 344.41 g/mol, XLogP of 5.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[3-(4-methylphenoxy)-2-(4-methylphenyl)phenyl]prop-2-enoic acid is sourced from PubChem (CID 175089680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).