(E)-3-(2,4-dimethoxyphenyl)-1-(6-methoxy-2H-chromen-3-yl)prop-2-en-1-one

C21H20O5 — CID 73348982

IUPAC(E)-3-(2,4-dimethoxyphenyl)-1-(6-methoxy-2H-chromen-3-yl)prop-2-en-1-one
SMILESCOc1ccc2c(c1)C=C(C(=O)/C=C/c1ccc(OC)cc1OC)CO2
InChIInChI=1S/C21H20O5/c1-23-17-7-9-20-15(11-17)10-16(13-26-20)19(22)8-5-14-4-6-18(24-2)12-21(14)25-3/h4-12H,13H2,1-3H3/b8-5+
InChIKeyPXBZGFXEQJWFCD-VMPITWQZSA-N
MW352.39 g/mol
LogP3.77
Rot. Bonds6

About (E)-3-(2,4-dimethoxyphenyl)-1-(6-methoxy-2H-chromen-3-yl)prop-2-en-1-one

(E)-3-(2,4-dimethoxyphenyl)-1-(6-methoxy-2H-chromen-3-yl)prop-2-en-1-one (PubChem CID 73348982) has the molecular formula C21H20O5 and a molecular weight of 352.39 g/mol. Its IUPAC name is (E)-3-(2,4-dimethoxyphenyl)-1-(6-methoxy-2H-chromen-3-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(2,4-dimethoxyphenyl)-1-(6-methoxy-2H-chromen-3-yl)prop-2-en-1-one
PubChem CID73348982
Molecular FormulaC21H20O5
Molecular Weight352.39 g/mol
Exact Mass352.13
IUPAC Name(E)-3-(2,4-dimethoxyphenyl)-1-(6-methoxy-2H-chromen-3-yl)prop-2-en-1-one
SMILESCOc1ccc2c(c1)C=C(C(=O)/C=C/c1ccc(OC)cc1OC)CO2
InChIInChI=1S/C21H20O5/c1-23-17-7-9-20-15(11-17)10-16(13-26-20)19(22)8-5-14-4-6-18(24-2)12-21(14)25-3/h4-12H,13H2,1-3H3/b8-5+
InChIKeyPXBZGFXEQJWFCD-VMPITWQZSA-N
XLogP3.77
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,4-dimethoxyphenyl)-1-(6-methoxy-2H-chromen-3-yl)prop-2-en-1-one?
The IUPAC name of (E)-3-(2,4-dimethoxyphenyl)-1-(6-methoxy-2H-chromen-3-yl)prop-2-en-1-one (CID 73348982) is (E)-3-(2,4-dimethoxyphenyl)-1-(6-methoxy-2H-chromen-3-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(2,4-dimethoxyphenyl)-1-(6-methoxy-2H-chromen-3-yl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(2,4-dimethoxyphenyl)-1-(6-methoxy-2H-chromen-3-yl)prop-2-en-1-one is COc1ccc2c(c1)C=C(C(=O)/C=C/c1ccc(OC)cc1OC)CO2.
What is the InChIKey of (E)-3-(2,4-dimethoxyphenyl)-1-(6-methoxy-2H-chromen-3-yl)prop-2-en-1-one?
The InChIKey is PXBZGFXEQJWFCD-VMPITWQZSA-N. The full InChI is InChI=1S/C21H20O5/c1-23-17-7-9-20-15(11-17)10-16(13-26-20)19(22)8-5-14-4-6-18(24-2)12-21(14)25-3/h4-12H,13H2,1-3H3/b8-5+.
What are the key properties of (E)-3-(2,4-dimethoxyphenyl)-1-(6-methoxy-2H-chromen-3-yl)prop-2-en-1-one?
(E)-3-(2,4-dimethoxyphenyl)-1-(6-methoxy-2H-chromen-3-yl)prop-2-en-1-one has a molecular weight of 352.39 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,4-dimethoxyphenyl)-1-(6-methoxy-2H-chromen-3-yl)prop-2-en-1-one is sourced from PubChem (CID 73348982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).