3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-phenylchromen-4-one

C25H20O4 — CID 10905103

IUPAC3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-phenylchromen-4-one
SMILESCOc1ccc(/C=C/c2c(-c3ccccc3)oc3ccccc3c2=O)cc1OC
InChIInChI=1S/C25H20O4/c1-27-22-15-13-17(16-23(22)28-2)12-14-20-24(26)19-10-6-7-11-21(19)29-25(20)18-8-4-3-5-9-18/h3-16H,1-2H3/b14-12+
InChIKeyYSSUZQVCWJVROM-WYMLVPIESA-N
MW384.43 g/mol
LogP5.65
Rot. Bonds5

About 3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-phenylchromen-4-one

3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-phenylchromen-4-one (PubChem CID 10905103) has the molecular formula C25H20O4 and a molecular weight of 384.43 g/mol. Its IUPAC name is 3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-phenylchromen-4-one.

Molecular Properties

Compound Name3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-phenylchromen-4-one
PubChem CID10905103
Molecular FormulaC25H20O4
Molecular Weight384.43 g/mol
Exact Mass384.14
IUPAC Name3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-phenylchromen-4-one
SMILESCOc1ccc(/C=C/c2c(-c3ccccc3)oc3ccccc3c2=O)cc1OC
InChIInChI=1S/C25H20O4/c1-27-22-15-13-17(16-23(22)28-2)12-14-20-24(26)19-10-6-7-11-21(19)29-25(20)18-8-4-3-5-9-18/h3-16H,1-2H3/b14-12+
InChIKeyYSSUZQVCWJVROM-WYMLVPIESA-N
XLogP5.65
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.43
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-3-[(E)-2-phenylethenyl]chromen-4-one
CID 15461730
2-(3,4-dimethoxyphenyl)-3-phenylchromen-4-one
CID 140540725
[2-(4-chlorophenyl)-6-methyl-4-oxochromen-3-yl] 3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 4130618
3-iodo-6,7-dimethoxy-2-phenylchromen-4-one
CID 11718442
3-methoxy-2-(4-methylphenyl)chromen-4-one
CID 139049420
2-(3,4-dimethoxyphenyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxychromen-4-one
CID 102522457
2-[2-(3,4-dimethoxyphenyl)ethenyl]-1,3-benzoxazole
CID 2729280
[2-methoxy-4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl] 5-methoxy-2-phenyl-1-benzofuran-3-carboxylate
CID 6125939
2-(3,4-dimethoxyphenyl)chromen-4-one
CID 158873505
(1R)-1-(3,4-dimethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 2033311
3-(3,4-dimethoxyphenyl)-2-methoxybenzo[f]chromen-1-one
CID 73346146
2-(4-methoxyphenyl)-1-benzofuran-3-carbaldehyde
CID 12550686

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-phenylchromen-4-one?
The IUPAC name of 3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-phenylchromen-4-one (CID 10905103) is 3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-phenylchromen-4-one.
What is the SMILES notation for 3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-phenylchromen-4-one?
The canonical SMILES for 3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-phenylchromen-4-one is COc1ccc(/C=C/c2c(-c3ccccc3)oc3ccccc3c2=O)cc1OC.
What is the InChIKey of 3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-phenylchromen-4-one?
The InChIKey is YSSUZQVCWJVROM-WYMLVPIESA-N. The full InChI is InChI=1S/C25H20O4/c1-27-22-15-13-17(16-23(22)28-2)12-14-20-24(26)19-10-6-7-11-21(19)29-25(20)18-8-4-3-5-9-18/h3-16H,1-2H3/b14-12+.
What are the key properties of 3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-phenylchromen-4-one?
3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-phenylchromen-4-one has a molecular weight of 384.43 g/mol, XLogP of 5.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-2-phenylchromen-4-one is sourced from PubChem (CID 10905103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).