(Z)-3-[4-[2-(3-methylphenoxy)ethoxy]phenyl]-2-phenylprop-2-enoic acid

C24H22O4 — CID 20984698

IUPAC(Z)-3-[4-[2-(3-methylphenoxy)ethoxy]phenyl]-2-phenylprop-2-enoic acid
SMILESCc1cccc(OCCOc2ccc(/C=C(\C(=O)O)c3ccccc3)cc2)c1
InChIInChI=1S/C24H22O4/c1-18-6-5-9-22(16-18)28-15-14-27-21-12-10-19(11-13-21)17-23(24(25)26)20-7-3-2-4-8-20/h2-13,16-17H,14-15H2,1H3,(H,25,26)/b23-17-
InChIKeyBYSIUFTWBLIQOD-QJOMJCCJSA-N
MW374.44 g/mol
LogP5.08
Rot. Bonds8

About (Z)-3-[4-[2-(3-methylphenoxy)ethoxy]phenyl]-2-phenylprop-2-enoic acid

(Z)-3-[4-[2-(3-methylphenoxy)ethoxy]phenyl]-2-phenylprop-2-enoic acid (PubChem CID 20984698) has the molecular formula C24H22O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is (Z)-3-[4-[2-(3-methylphenoxy)ethoxy]phenyl]-2-phenylprop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-[4-[2-(3-methylphenoxy)ethoxy]phenyl]-2-phenylprop-2-enoic acid
PubChem CID20984698
Molecular FormulaC24H22O4
Molecular Weight374.44 g/mol
Exact Mass374.15
IUPAC Name(Z)-3-[4-[2-(3-methylphenoxy)ethoxy]phenyl]-2-phenylprop-2-enoic acid
SMILESCc1cccc(OCCOc2ccc(/C=C(\C(=O)O)c3ccccc3)cc2)c1
InChIInChI=1S/C24H22O4/c1-18-6-5-9-22(16-18)28-15-14-27-21-12-10-19(11-13-21)17-23(24(25)26)20-7-3-2-4-8-20/h2-13,16-17H,14-15H2,1H3,(H,25,26)/b23-17-
InChIKeyBYSIUFTWBLIQOD-QJOMJCCJSA-N
XLogP5.08
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.44
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-(3-butoxyphenyl)-2-phenylprop-2-enoic acid
CID 22682893
(Z)-2-(3-ethoxyphenyl)-3-(4-methylphenyl)prop-2-enoic acid
CID 83955083
(E)-3-[3-methoxy-4-(2-phenoxyethoxy)phenyl]-2-phenylprop-2-enoic acid
CID 22680499
(E)-3-[3-[2-(3-methylphenoxy)ethoxy]phenyl]-2-thiophen-2-ylprop-2-enoic acid
CID 20985636
(3-methylphenyl) 4-(2-phenoxyethoxy)benzoate
CID 23011970
(Z)-3-[2-[2-(3-methoxyphenoxy)ethoxy]phenyl]-2-phenylprop-2-enoic acid
CID 20989024
4-[(Z)-2-carboxy-2-(3-ethoxyphenyl)ethenyl]benzoic acid
CID 83955793
(E)-2-(4-methoxyphenyl)-3-(3-propoxyphenyl)prop-2-enoic acid
CID 22685167
(Z)-3-(4-acetyloxyphenyl)-2-phenylprop-2-enoic acid
CID 102239549
2-(4-aminophenyl)-3-(4-propoxyphenyl)prop-2-enoic acid
CID 54537556
(E)-2-[4-(3-hydroxypropoxy)phenyl]-3-(4-methoxyphenyl)prop-2-enoic acid
CID 118274610
3-(3,5-dimethylphenyl)-2-phenylprop-2-enoic acid
CID 76916002

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[4-[2-(3-methylphenoxy)ethoxy]phenyl]-2-phenylprop-2-enoic acid?
The IUPAC name of (Z)-3-[4-[2-(3-methylphenoxy)ethoxy]phenyl]-2-phenylprop-2-enoic acid (CID 20984698) is (Z)-3-[4-[2-(3-methylphenoxy)ethoxy]phenyl]-2-phenylprop-2-enoic acid.
What is the SMILES notation for (Z)-3-[4-[2-(3-methylphenoxy)ethoxy]phenyl]-2-phenylprop-2-enoic acid?
The canonical SMILES for (Z)-3-[4-[2-(3-methylphenoxy)ethoxy]phenyl]-2-phenylprop-2-enoic acid is Cc1cccc(OCCOc2ccc(/C=C(\C(=O)O)c3ccccc3)cc2)c1.
What is the InChIKey of (Z)-3-[4-[2-(3-methylphenoxy)ethoxy]phenyl]-2-phenylprop-2-enoic acid?
The InChIKey is BYSIUFTWBLIQOD-QJOMJCCJSA-N. The full InChI is InChI=1S/C24H22O4/c1-18-6-5-9-22(16-18)28-15-14-27-21-12-10-19(11-13-21)17-23(24(25)26)20-7-3-2-4-8-20/h2-13,16-17H,14-15H2,1H3,(H,25,26)/b23-17-.
What are the key properties of (Z)-3-[4-[2-(3-methylphenoxy)ethoxy]phenyl]-2-phenylprop-2-enoic acid?
(Z)-3-[4-[2-(3-methylphenoxy)ethoxy]phenyl]-2-phenylprop-2-enoic acid has a molecular weight of 374.44 g/mol, XLogP of 5.08, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[4-[2-(3-methylphenoxy)ethoxy]phenyl]-2-phenylprop-2-enoic acid is sourced from PubChem (CID 20984698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).