(E)-3-[2-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]phenyl]prop-2-enoic acid

C24H20O3 — CID 11210487

IUPAC(E)-3-[2-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]phenyl]prop-2-enoic acid
SMILESO=C(O)/C=C/c1ccccc1/C=C/c1ccccc1OCc1ccccc1
InChIInChI=1S/C24H20O3/c25-24(26)17-16-21-11-5-4-10-20(21)14-15-22-12-6-7-13-23(22)27-18-19-8-2-1-3-9-19/h1-17H,18H2,(H,25,26)/b15-14+,17-16+
InChIKeyATFDWTPLOUXYOC-JLXBFWJWSA-N
MW356.42 g/mol
LogP5.53
Rot. Bonds7

About (E)-3-[2-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]phenyl]prop-2-enoic acid

(E)-3-[2-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]phenyl]prop-2-enoic acid (PubChem CID 11210487) has the molecular formula C24H20O3 and a molecular weight of 356.42 g/mol. Its IUPAC name is (E)-3-[2-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[2-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]phenyl]prop-2-enoic acid
PubChem CID11210487
Molecular FormulaC24H20O3
Molecular Weight356.42 g/mol
Exact Mass356.14
IUPAC Name(E)-3-[2-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]phenyl]prop-2-enoic acid
SMILESO=C(O)/C=C/c1ccccc1/C=C/c1ccccc1OCc1ccccc1
InChIInChI=1S/C24H20O3/c25-24(26)17-16-21-11-5-4-10-20(21)14-15-22-12-6-7-13-23(22)27-18-19-8-2-1-3-9-19/h1-17H,18H2,(H,25,26)/b15-14+,17-16+
InChIKeyATFDWTPLOUXYOC-JLXBFWJWSA-N
XLogP5.53
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.42
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

3-[2-(pyridin-4-ylmethoxy)phenyl]prop-2-enoic acid
CID 53405811
3-[2-[(3-fluorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 5116496
(E)-N,N-dimethyl-3-(2-phenylmethoxyphenyl)prop-2-enamide
CID 15255199
3-(4-iodo-2-phenylmethoxyphenyl)prop-2-enoic acid
CID 68631589
3-[2-(2-hydroxy-3-phenylmethoxypropoxy)phenyl]prop-2-enoic acid
CID 175151116
3-[5-(carboxymethyl)-2-phenylmethoxyphenyl]prop-2-enoic acid
CID 57319289
3-(5-ethoxy-2-phenylmethoxyphenyl)prop-2-enoic acid
CID 68884286
3-bromo-4-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]benzoic acid
CID 18973994
3-[2-[2-(2-chlorophenoxy)ethoxy]phenyl]prop-2-enoic acid
CID 20987887
3-(2-pent-4-enoxyphenyl)prop-2-enoic acid
CID 77034106
3-[2-[2-(2-methoxyphenoxy)ethoxy]phenyl]prop-2-enoic acid
CID 22685156
3-(3-bromo-2-phenylmethoxyphenyl)prop-2-enoic acid
CID 76899319

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]phenyl]prop-2-enoic acid?
The IUPAC name of (E)-3-[2-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]phenyl]prop-2-enoic acid (CID 11210487) is (E)-3-[2-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]phenyl]prop-2-enoic acid.
What is the SMILES notation for (E)-3-[2-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]phenyl]prop-2-enoic acid?
The canonical SMILES for (E)-3-[2-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]phenyl]prop-2-enoic acid is O=C(O)/C=C/c1ccccc1/C=C/c1ccccc1OCc1ccccc1.
What is the InChIKey of (E)-3-[2-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]phenyl]prop-2-enoic acid?
The InChIKey is ATFDWTPLOUXYOC-JLXBFWJWSA-N. The full InChI is InChI=1S/C24H20O3/c25-24(26)17-16-21-11-5-4-10-20(21)14-15-22-12-6-7-13-23(22)27-18-19-8-2-1-3-9-19/h1-17H,18H2,(H,25,26)/b15-14+,17-16+.
What are the key properties of (E)-3-[2-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]phenyl]prop-2-enoic acid?
(E)-3-[2-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]phenyl]prop-2-enoic acid has a molecular weight of 356.42 g/mol, XLogP of 5.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-[(E)-2-(2-phenylmethoxyphenyl)ethenyl]phenyl]prop-2-enoic acid is sourced from PubChem (CID 11210487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).