3-(4-phenylmethoxyphenyl)prop-2-enoyl 3-(4-phenylmethoxyphenyl)prop-2-enoate

C32H26O5 — CID 139936599

IUPAC3-(4-phenylmethoxyphenyl)prop-2-enoyl 3-(4-phenylmethoxyphenyl)prop-2-enoate
SMILESO=C(C=Cc1ccc(OCc2ccccc2)cc1)OC(=O)C=Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C32H26O5/c33-31(21-15-25-11-17-29(18-12-25)35-23-27-7-3-1-4-8-27)37-32(34)22-16-26-13-19-30(20-14-26)36-24-28-9-5-2-6-10-28/h1-22H,23-24H2
InChIKeyRNQAKUUTEVILTH-UHFFFAOYSA-N
MW490.56 g/mol
LogP6.64
Rot. Bonds10

About 3-(4-phenylmethoxyphenyl)prop-2-enoyl 3-(4-phenylmethoxyphenyl)prop-2-enoate

3-(4-phenylmethoxyphenyl)prop-2-enoyl 3-(4-phenylmethoxyphenyl)prop-2-enoate (PubChem CID 139936599) has the molecular formula C32H26O5 and a molecular weight of 490.56 g/mol. Its IUPAC name is 3-(4-phenylmethoxyphenyl)prop-2-enoyl 3-(4-phenylmethoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name3-(4-phenylmethoxyphenyl)prop-2-enoyl 3-(4-phenylmethoxyphenyl)prop-2-enoate
PubChem CID139936599
Molecular FormulaC32H26O5
Molecular Weight490.56 g/mol
Exact Mass490.18
IUPAC Name3-(4-phenylmethoxyphenyl)prop-2-enoyl 3-(4-phenylmethoxyphenyl)prop-2-enoate
SMILESO=C(C=Cc1ccc(OCc2ccccc2)cc1)OC(=O)C=Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C32H26O5/c33-31(21-15-25-11-17-29(18-12-25)35-23-27-7-3-1-4-8-27)37-32(34)22-16-26-13-19-30(20-14-26)36-24-28-9-5-2-6-10-28/h1-22H,23-24H2
InChIKeyRNQAKUUTEVILTH-UHFFFAOYSA-N
XLogP6.64
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.56
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(1E,4E)-1,5-bis(4-phenylmethoxyphenyl)penta-1,4-dien-3-one
CID 6475153
3-(4-phenylmethoxyphenyl)prop-2-enoyl chloride
CID 86156285
(4-methylphenyl) (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate
CID 19175340
(3-methylphenyl) (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate
CID 19175339
(2-phenylphenyl) (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate
CID 19175177
(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
1-(4-aminophenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one
CID 53405756
(E)-N-hydroxy-N-(2-phenylethyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 14545026
[1-oxo-1-(propan-2-ylamino)propan-2-yl] (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate
CID 55365994
1-[(1E)-3-phenylbuta-1,3-dienyl]-4-phenylmethoxybenzene
CID 144528376
(E)-1-(azepan-1-yl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one
CID 724601

Frequently Asked Questions

What is the IUPAC name of 3-(4-phenylmethoxyphenyl)prop-2-enoyl 3-(4-phenylmethoxyphenyl)prop-2-enoate?
The IUPAC name of 3-(4-phenylmethoxyphenyl)prop-2-enoyl 3-(4-phenylmethoxyphenyl)prop-2-enoate (CID 139936599) is 3-(4-phenylmethoxyphenyl)prop-2-enoyl 3-(4-phenylmethoxyphenyl)prop-2-enoate.
What is the SMILES notation for 3-(4-phenylmethoxyphenyl)prop-2-enoyl 3-(4-phenylmethoxyphenyl)prop-2-enoate?
The canonical SMILES for 3-(4-phenylmethoxyphenyl)prop-2-enoyl 3-(4-phenylmethoxyphenyl)prop-2-enoate is O=C(C=Cc1ccc(OCc2ccccc2)cc1)OC(=O)C=Cc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 3-(4-phenylmethoxyphenyl)prop-2-enoyl 3-(4-phenylmethoxyphenyl)prop-2-enoate?
The InChIKey is RNQAKUUTEVILTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26O5/c33-31(21-15-25-11-17-29(18-12-25)35-23-27-7-3-1-4-8-27)37-32(34)22-16-26-13-19-30(20-14-26)36-24-28-9-5-2-6-10-28/h1-22H,23-24H2.
What are the key properties of 3-(4-phenylmethoxyphenyl)prop-2-enoyl 3-(4-phenylmethoxyphenyl)prop-2-enoate?
3-(4-phenylmethoxyphenyl)prop-2-enoyl 3-(4-phenylmethoxyphenyl)prop-2-enoate has a molecular weight of 490.56 g/mol, XLogP of 6.64, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenylmethoxyphenyl)prop-2-enoyl 3-(4-phenylmethoxyphenyl)prop-2-enoate is sourced from PubChem (CID 139936599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).