(2-phenylphenyl) (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate

C28H22O3 — CID 19175177

IUPAC(2-phenylphenyl) (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate
SMILESO=C(/C=C/c1ccc(OCc2ccccc2)cc1)Oc1ccccc1-c1ccccc1
InChIInChI=1S/C28H22O3/c29-28(31-27-14-8-7-13-26(27)24-11-5-2-6-12-24)20-17-22-15-18-25(19-16-22)30-21-23-9-3-1-4-10-23/h1-20H,21H2/b20-17+
InChIKeyXEVMPRRPXJQKLI-LVZFUZTISA-N
MW406.48 g/mol
LogP6.55
Rot. Bonds7

About (2-phenylphenyl) (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate

(2-phenylphenyl) (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate (PubChem CID 19175177) has the molecular formula C28H22O3 and a molecular weight of 406.48 g/mol. Its IUPAC name is (2-phenylphenyl) (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name(2-phenylphenyl) (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate
PubChem CID19175177
Molecular FormulaC28H22O3
Molecular Weight406.48 g/mol
Exact Mass406.16
IUPAC Name(2-phenylphenyl) (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate
SMILESO=C(/C=C/c1ccc(OCc2ccccc2)cc1)Oc1ccccc1-c1ccccc1
InChIInChI=1S/C28H22O3/c29-28(31-27-14-8-7-13-26(27)24-11-5-2-6-12-24)20-17-22-15-18-25(19-16-22)30-21-23-9-3-1-4-10-23/h1-20H,21H2/b20-17+
InChIKeyXEVMPRRPXJQKLI-LVZFUZTISA-N
XLogP6.55
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.48
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-phenylphenyl) 3-[4-(4-hydroxybutoxy)phenyl]prop-2-enoate
CID 141374619
3-(4-phenylmethoxyphenyl)prop-2-enoyl 3-(4-phenylmethoxyphenyl)prop-2-enoate
CID 139936599
(4-methylphenyl) (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate
CID 19175340
3-(4-phenylmethoxyphenyl)prop-2-enoyl chloride
CID 86156285
(1E,4E)-1,5-bis(4-phenylmethoxyphenyl)penta-1,4-dien-3-one
CID 6475153
(3-methylphenyl) (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate
CID 19175339
(E)-1-[2,6-bis(phenylmethoxy)phenyl]-3-(4-phenylmethoxyphenyl)prop-2-en-1-one
CID 10578039
(E)-N-(diaminomethylidene)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 84549562
[2-methoxy-4-[(E)-2-nitroethenyl]phenyl] (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate
CID 19175246
phenyl (E)-3-[4-(2-phenoxyethoxy)phenyl]prop-2-enoate
CID 89388699
(2-methylphenyl) 3-(4-ethoxyphenyl)prop-2-enoate
CID 731126
(4-phenylphenyl)methyl (E)-3-(4-prop-2-enoxyphenyl)prop-2-enoate
CID 7486348

Frequently Asked Questions

What is the IUPAC name of (2-phenylphenyl) (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate?
The IUPAC name of (2-phenylphenyl) (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate (CID 19175177) is (2-phenylphenyl) (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate.
What is the SMILES notation for (2-phenylphenyl) (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate?
The canonical SMILES for (2-phenylphenyl) (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate is O=C(/C=C/c1ccc(OCc2ccccc2)cc1)Oc1ccccc1-c1ccccc1.
What is the InChIKey of (2-phenylphenyl) (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate?
The InChIKey is XEVMPRRPXJQKLI-LVZFUZTISA-N. The full InChI is InChI=1S/C28H22O3/c29-28(31-27-14-8-7-13-26(27)24-11-5-2-6-12-24)20-17-22-15-18-25(19-16-22)30-21-23-9-3-1-4-10-23/h1-20H,21H2/b20-17+.
What are the key properties of (2-phenylphenyl) (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate?
(2-phenylphenyl) (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate has a molecular weight of 406.48 g/mol, XLogP of 6.55, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenylphenyl) (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate is sourced from PubChem (CID 19175177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).