(2,4-dimethoxyphenyl)-[2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-4,6-dimethoxyphenyl]methanone

C27H28O7 — CID 89202436

IUPAC(2,4-dimethoxyphenyl)-[2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-4,6-dimethoxyphenyl]methanone
SMILESCOc1cc(/C=C/c2cc(OC)cc(OC)c2C(=O)c2ccc(OC)cc2OC)cc(OC)c1
InChIInChI=1S/C27H28O7/c1-29-19-9-10-23(24(15-19)33-5)27(28)26-18(13-22(32-4)16-25(26)34-6)8-7-17-11-20(30-2)14-21(12-17)31-3/h7-16H,1-6H3/b8-7+
InChIKeyCTAXMWNSUUPYAC-BQYQJAHWSA-N
MW464.51 g/mol
LogP5.14
Rot. Bonds10

About (2,4-dimethoxyphenyl)-[2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-4,6-dimethoxyphenyl]methanone

(2,4-dimethoxyphenyl)-[2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-4,6-dimethoxyphenyl]methanone (PubChem CID 89202436) has the molecular formula C27H28O7 and a molecular weight of 464.51 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl)-[2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-4,6-dimethoxyphenyl]methanone.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl)-[2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-4,6-dimethoxyphenyl]methanone
PubChem CID89202436
Molecular FormulaC27H28O7
Molecular Weight464.51 g/mol
Exact Mass464.18
IUPAC Name(2,4-dimethoxyphenyl)-[2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-4,6-dimethoxyphenyl]methanone
SMILESCOc1cc(/C=C/c2cc(OC)cc(OC)c2C(=O)c2ccc(OC)cc2OC)cc(OC)c1
InChIInChI=1S/C27H28O7/c1-29-19-9-10-23(24(15-19)33-5)27(28)26-18(13-22(32-4)16-25(26)34-6)8-7-17-11-20(30-2)14-21(12-17)31-3/h7-16H,1-6H3/b8-7+
InChIKeyCTAXMWNSUUPYAC-BQYQJAHWSA-N
XLogP5.14
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.51
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (2,4-dimethoxyphenyl)-[2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-4,6-dimethoxyphenyl]methanone with MolForge

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Related Compounds

1-[(Z)-2-(2,4-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene
CID 6604874
2-[1-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)ethenyl]-1,5-dimethoxy-3-[2-(4-methoxyphenyl)ethenyl]benzene
CID 123758445
2-[(E)-1-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)ethenyl]-1,5-dimethoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
CID 89202401
(E)-1-(2,4-dimethoxyphenyl)-3-(2,5-dimethoxyphenyl)prop-2-en-1-one
CID 5332328
methyl 2-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-4,6-dimethoxybenzoate
CID 141364395
methyl 2,4-dimethoxy-6-[2-(1H-pyrrol-3-yl)ethenyl]benzoate
CID 174732754
2,4-dimethoxybenzoic acid
CID 7052
2,4-dimethoxybenzoic acid
CID 67450326
1-(2,4-dimethoxyphenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
CID 69051242
(E)-1-(2,4-dimethoxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one
CID 7514790
methyl 4-methoxy-2-[(E)-2-(3-methoxyphenyl)ethenyl]benzoate
CID 139796545
(E)-1-(2,4-dimethoxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-en-1-one
CID 8832774

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl)-[2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-4,6-dimethoxyphenyl]methanone?
The IUPAC name of (2,4-dimethoxyphenyl)-[2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-4,6-dimethoxyphenyl]methanone (CID 89202436) is (2,4-dimethoxyphenyl)-[2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-4,6-dimethoxyphenyl]methanone.
What is the SMILES notation for (2,4-dimethoxyphenyl)-[2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-4,6-dimethoxyphenyl]methanone?
The canonical SMILES for (2,4-dimethoxyphenyl)-[2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-4,6-dimethoxyphenyl]methanone is COc1cc(/C=C/c2cc(OC)cc(OC)c2C(=O)c2ccc(OC)cc2OC)cc(OC)c1.
What is the InChIKey of (2,4-dimethoxyphenyl)-[2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-4,6-dimethoxyphenyl]methanone?
The InChIKey is CTAXMWNSUUPYAC-BQYQJAHWSA-N. The full InChI is InChI=1S/C27H28O7/c1-29-19-9-10-23(24(15-19)33-5)27(28)26-18(13-22(32-4)16-25(26)34-6)8-7-17-11-20(30-2)14-21(12-17)31-3/h7-16H,1-6H3/b8-7+.
What are the key properties of (2,4-dimethoxyphenyl)-[2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-4,6-dimethoxyphenyl]methanone?
(2,4-dimethoxyphenyl)-[2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-4,6-dimethoxyphenyl]methanone has a molecular weight of 464.51 g/mol, XLogP of 5.14, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxyphenyl)-[2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-4,6-dimethoxyphenyl]methanone is sourced from PubChem (CID 89202436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).