(E)-3-(3-methoxy-4-phenylmethoxyphenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one

C26H26O6 — CID 6089213

IUPAC(E)-3-(3-methoxy-4-phenylmethoxyphenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
SMILESCOc1cc(OC)c(C(=O)/C=C/c2ccc(OCc3ccccc3)c(OC)c2)c(OC)c1
InChIInChI=1S/C26H26O6/c1-28-20-15-24(30-3)26(25(16-20)31-4)21(27)12-10-18-11-13-22(23(14-18)29-2)32-17-19-8-6-5-7-9-19/h5-16H,17H2,1-4H3/b12-10+
InChIKeyGMVRRASQHIYZQN-ZRDIBKRKSA-N
MW434.49 g/mol
LogP5.20
Rot. Bonds10

About (E)-3-(3-methoxy-4-phenylmethoxyphenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one

(E)-3-(3-methoxy-4-phenylmethoxyphenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one (PubChem CID 6089213) has the molecular formula C26H26O6 and a molecular weight of 434.49 g/mol. Its IUPAC name is (E)-3-(3-methoxy-4-phenylmethoxyphenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(3-methoxy-4-phenylmethoxyphenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
PubChem CID6089213
Molecular FormulaC26H26O6
Molecular Weight434.49 g/mol
Exact Mass434.17
IUPAC Name(E)-3-(3-methoxy-4-phenylmethoxyphenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
SMILESCOc1cc(OC)c(C(=O)/C=C/c2ccc(OCc3ccccc3)c(OC)c2)c(OC)c1
InChIInChI=1S/C26H26O6/c1-28-20-15-24(30-3)26(25(16-20)31-4)21(27)12-10-18-11-13-22(23(14-18)29-2)32-17-19-8-6-5-7-9-19/h5-16H,17H2,1-4H3/b12-10+
InChIKeyGMVRRASQHIYZQN-ZRDIBKRKSA-N
XLogP5.20
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.49
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (E)-3-(3-methoxy-4-phenylmethoxyphenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-methoxy-4-phenylmethoxyphenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-(3-methoxy-4-phenylmethoxyphenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one (CID 6089213) is (E)-3-(3-methoxy-4-phenylmethoxyphenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(3-methoxy-4-phenylmethoxyphenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(3-methoxy-4-phenylmethoxyphenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one is COc1cc(OC)c(C(=O)/C=C/c2ccc(OCc3ccccc3)c(OC)c2)c(OC)c1.
What is the InChIKey of (E)-3-(3-methoxy-4-phenylmethoxyphenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one?
The InChIKey is GMVRRASQHIYZQN-ZRDIBKRKSA-N. The full InChI is InChI=1S/C26H26O6/c1-28-20-15-24(30-3)26(25(16-20)31-4)21(27)12-10-18-11-13-22(23(14-18)29-2)32-17-19-8-6-5-7-9-19/h5-16H,17H2,1-4H3/b12-10+.
What are the key properties of (E)-3-(3-methoxy-4-phenylmethoxyphenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one?
(E)-3-(3-methoxy-4-phenylmethoxyphenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one has a molecular weight of 434.49 g/mol, XLogP of 5.20, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-methoxy-4-phenylmethoxyphenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 6089213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).