(E)-1-[2-methoxy-4,6-bis(prop-2-enoxy)phenyl]-3-phenylprop-2-en-1-one

C22H22O4 — CID 25133926

IUPAC(E)-1-[2-methoxy-4,6-bis(prop-2-enoxy)phenyl]-3-phenylprop-2-en-1-one
SMILESC=CCOc1cc(OC)c(C(=O)/C=C/c2ccccc2)c(OCC=C)c1
InChIInChI=1S/C22H22O4/c1-4-13-25-18-15-20(24-3)22(21(16-18)26-14-5-2)19(23)12-11-17-9-7-6-8-10-17/h4-12,15-16H,1-2,13-14H2,3H3/b12-11+
InChIKeyOJBZPCXCBNXGRG-VAWYXSNFSA-N
MW350.41 g/mol
LogP4.72
Rot. Bonds10

About (E)-1-[2-methoxy-4,6-bis(prop-2-enoxy)phenyl]-3-phenylprop-2-en-1-one

(E)-1-[2-methoxy-4,6-bis(prop-2-enoxy)phenyl]-3-phenylprop-2-en-1-one (PubChem CID 25133926) has the molecular formula C22H22O4 and a molecular weight of 350.41 g/mol. Its IUPAC name is (E)-1-[2-methoxy-4,6-bis(prop-2-enoxy)phenyl]-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[2-methoxy-4,6-bis(prop-2-enoxy)phenyl]-3-phenylprop-2-en-1-one
PubChem CID25133926
Molecular FormulaC22H22O4
Molecular Weight350.41 g/mol
Exact Mass350.15
IUPAC Name(E)-1-[2-methoxy-4,6-bis(prop-2-enoxy)phenyl]-3-phenylprop-2-en-1-one
SMILESC=CCOc1cc(OC)c(C(=O)/C=C/c2ccccc2)c(OCC=C)c1
InChIInChI=1S/C22H22O4/c1-4-13-25-18-15-20(24-3)22(21(16-18)26-14-5-2)19(23)12-11-17-9-7-6-8-10-17/h4-12,15-16H,1-2,13-14H2,3H3/b12-11+
InChIKeyOJBZPCXCBNXGRG-VAWYXSNFSA-N
XLogP4.72
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-bromophenyl)-1-[2-methoxy-4,6-bis(prop-2-enoxy)phenyl]prop-2-en-1-one
CID 67347655
(E)-1-[2-methoxy-4,6-bis(methoxymethoxy)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one
CID 58379473
3-(3-methoxy-4-prop-2-enoxyphenyl)-1-phenylprop-2-en-1-one
CID 75849735
1-[2-hydroxy-4,6-bis(methoxymethoxy)phenyl]-3-(4-prop-2-enoxyphenyl)prop-2-en-1-one
CID 68935399
(E)-3-phenyl-1-(4-prop-2-enoxyphenyl)prop-2-en-1-one
CID 19608879
(E)-3-(4-methoxyphenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
CID 5378566
4-[(E)-3-oxo-3-(2,4,6-trimethoxyphenyl)prop-1-enyl]benzoic acid
CID 10020239
3-[(E)-3-oxo-3-(2,4,6-trimethoxyphenyl)prop-1-enyl]benzoic acid
CID 10405090
(Z)-1-(2-hydroxy-3,4,6-trimethoxyphenyl)-3-phenylprop-2-en-1-one
CID 92529712
[4-[(E)-3-(2,4-dibenzoyloxy-6-methoxyphenyl)-3-oxoprop-1-enyl]phenyl] benzoate
CID 46735342
[3,5-dimethoxy-2-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenyl] benzoate
CID 20542196
(E)-1-(2,4-dihydroxy-3,6-dimethoxyphenyl)-3-phenylprop-2-en-1-one
CID 7152435

Frequently Asked Questions

What is the IUPAC name of (E)-1-[2-methoxy-4,6-bis(prop-2-enoxy)phenyl]-3-phenylprop-2-en-1-one?
The IUPAC name of (E)-1-[2-methoxy-4,6-bis(prop-2-enoxy)phenyl]-3-phenylprop-2-en-1-one (CID 25133926) is (E)-1-[2-methoxy-4,6-bis(prop-2-enoxy)phenyl]-3-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-1-[2-methoxy-4,6-bis(prop-2-enoxy)phenyl]-3-phenylprop-2-en-1-one?
The canonical SMILES for (E)-1-[2-methoxy-4,6-bis(prop-2-enoxy)phenyl]-3-phenylprop-2-en-1-one is C=CCOc1cc(OC)c(C(=O)/C=C/c2ccccc2)c(OCC=C)c1.
What is the InChIKey of (E)-1-[2-methoxy-4,6-bis(prop-2-enoxy)phenyl]-3-phenylprop-2-en-1-one?
The InChIKey is OJBZPCXCBNXGRG-VAWYXSNFSA-N. The full InChI is InChI=1S/C22H22O4/c1-4-13-25-18-15-20(24-3)22(21(16-18)26-14-5-2)19(23)12-11-17-9-7-6-8-10-17/h4-12,15-16H,1-2,13-14H2,3H3/b12-11+.
What are the key properties of (E)-1-[2-methoxy-4,6-bis(prop-2-enoxy)phenyl]-3-phenylprop-2-en-1-one?
(E)-1-[2-methoxy-4,6-bis(prop-2-enoxy)phenyl]-3-phenylprop-2-en-1-one has a molecular weight of 350.41 g/mol, XLogP of 4.72, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[2-methoxy-4,6-bis(prop-2-enoxy)phenyl]-3-phenylprop-2-en-1-one is sourced from PubChem (CID 25133926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).