(E)-3-[3-ethoxy-4-(2-phenylethoxy)phenyl]-1-phenylprop-2-en-1-one

C25H24O3 — CID 50884823

IUPAC(E)-3-[3-ethoxy-4-(2-phenylethoxy)phenyl]-1-phenylprop-2-en-1-one
SMILESCCOc1cc(/C=C/C(=O)c2ccccc2)ccc1OCCc1ccccc1
InChIInChI=1S/C25H24O3/c1-2-27-25-19-21(13-15-23(26)22-11-7-4-8-12-22)14-16-24(25)28-18-17-20-9-5-3-6-10-20/h3-16,19H,2,17-18H2,1H3/b15-13+
InChIKeyQLASACIIPWBSLL-FYWRMAATSA-N
MW372.46 g/mol
LogP5.60
Rot. Bonds9

About (E)-3-[3-ethoxy-4-(2-phenylethoxy)phenyl]-1-phenylprop-2-en-1-one

(E)-3-[3-ethoxy-4-(2-phenylethoxy)phenyl]-1-phenylprop-2-en-1-one (PubChem CID 50884823) has the molecular formula C25H24O3 and a molecular weight of 372.46 g/mol. Its IUPAC name is (E)-3-[3-ethoxy-4-(2-phenylethoxy)phenyl]-1-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-[3-ethoxy-4-(2-phenylethoxy)phenyl]-1-phenylprop-2-en-1-one
PubChem CID50884823
Molecular FormulaC25H24O3
Molecular Weight372.46 g/mol
Exact Mass372.17
IUPAC Name(E)-3-[3-ethoxy-4-(2-phenylethoxy)phenyl]-1-phenylprop-2-en-1-one
SMILESCCOc1cc(/C=C/C(=O)c2ccccc2)ccc1OCCc1ccccc1
InChIInChI=1S/C25H24O3/c1-2-27-25-19-21(13-15-23(26)22-11-7-4-8-12-22)14-16-24(25)28-18-17-20-9-5-3-6-10-20/h3-16,19H,2,17-18H2,1H3/b15-13+
InChIKeyQLASACIIPWBSLL-FYWRMAATSA-N
XLogP5.60
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.46
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[3-ethoxy-4-(3-phenylpropoxy)phenyl]prop-2-enoic acid
CID 22680088
2-[2-ethoxy-4-[(E)-3-oxo-3-phenylprop-1-enyl]phenoxy]-N,N-dimethylacetamide
CID 8832683
3-(3-ethoxy-4-prop-2-ynoxyphenyl)-1-phenylprop-2-en-1-one
CID 2930717
(E)-3-(3-ethoxy-4-phenylmethoxyphenyl)-1-pyridin-3-ylprop-2-en-1-one
CID 8854326
(E)-3-(3-ethoxy-4-propoxyphenyl)-1-(3-hydroxyphenyl)prop-2-en-1-one
CID 9448246
(E)-3-(4-hexoxy-3-methoxyphenyl)-1-phenylprop-2-en-1-one
CID 134814022
(Z)-3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enoic acid
CID 2478599
4-[(E)-3-(3-ethoxy-4-propoxyphenyl)prop-2-enoyl]benzonitrile
CID 27112216
3-[4-[2-(3,5-diaminophenoxy)ethyl]phenyl]-1-phenylprop-2-en-1-one
CID 76760471
ethyl 3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enoate
CID 54167741
3-(4-butoxy-3-ethoxyphenyl)prop-2-enoic acid
CID 3838298
3-[3-ethoxy-4-[2-(4-propylphenoxy)ethoxy]phenyl]prop-2-enoic acid
CID 22687619

Frequently Asked Questions

What is the IUPAC name of (E)-3-[3-ethoxy-4-(2-phenylethoxy)phenyl]-1-phenylprop-2-en-1-one?
The IUPAC name of (E)-3-[3-ethoxy-4-(2-phenylethoxy)phenyl]-1-phenylprop-2-en-1-one (CID 50884823) is (E)-3-[3-ethoxy-4-(2-phenylethoxy)phenyl]-1-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-3-[3-ethoxy-4-(2-phenylethoxy)phenyl]-1-phenylprop-2-en-1-one?
The canonical SMILES for (E)-3-[3-ethoxy-4-(2-phenylethoxy)phenyl]-1-phenylprop-2-en-1-one is CCOc1cc(/C=C/C(=O)c2ccccc2)ccc1OCCc1ccccc1.
What is the InChIKey of (E)-3-[3-ethoxy-4-(2-phenylethoxy)phenyl]-1-phenylprop-2-en-1-one?
The InChIKey is QLASACIIPWBSLL-FYWRMAATSA-N. The full InChI is InChI=1S/C25H24O3/c1-2-27-25-19-21(13-15-23(26)22-11-7-4-8-12-22)14-16-24(25)28-18-17-20-9-5-3-6-10-20/h3-16,19H,2,17-18H2,1H3/b15-13+.
What are the key properties of (E)-3-[3-ethoxy-4-(2-phenylethoxy)phenyl]-1-phenylprop-2-en-1-one?
(E)-3-[3-ethoxy-4-(2-phenylethoxy)phenyl]-1-phenylprop-2-en-1-one has a molecular weight of 372.46 g/mol, XLogP of 5.60, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[3-ethoxy-4-(2-phenylethoxy)phenyl]-1-phenylprop-2-en-1-one is sourced from PubChem (CID 50884823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).