7-methoxy-4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]chromen-2-one

C21H20O6 — CID 46887465

IUPAC7-methoxy-4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]chromen-2-one
SMILESCOc1ccc2c(/C=C/c3cc(OC)c(OC)c(OC)c3)cc(=O)oc2c1
InChIInChI=1S/C21H20O6/c1-23-15-7-8-16-14(11-20(22)27-17(16)12-15)6-5-13-9-18(24-2)21(26-4)19(10-13)25-3/h5-12H,1-4H3/b6-5+
InChIKeyVEGKVTYAYALMCK-AATRIKPKSA-N
MW368.39 g/mol
LogP4.00
Rot. Bonds6

About 7-methoxy-4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]chromen-2-one

7-methoxy-4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]chromen-2-one (PubChem CID 46887465) has the molecular formula C21H20O6 and a molecular weight of 368.39 g/mol. Its IUPAC name is 7-methoxy-4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]chromen-2-one.

Molecular Properties

Compound Name7-methoxy-4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]chromen-2-one
PubChem CID46887465
Molecular FormulaC21H20O6
Molecular Weight368.39 g/mol
Exact Mass368.13
IUPAC Name7-methoxy-4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]chromen-2-one
SMILESCOc1ccc2c(/C=C/c3cc(OC)c(OC)c(OC)c3)cc(=O)oc2c1
InChIInChI=1S/C21H20O6/c1-23-15-7-8-16-14(11-20(22)27-17(16)12-15)6-5-13-9-18(24-2)21(26-4)19(10-13)25-3/h5-12H,1-4H3/b6-5+
InChIKeyVEGKVTYAYALMCK-AATRIKPKSA-N
XLogP4.00
TPSA67.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-7-methoxychromen-2-one
CID 46845156
4-[(E)-2-(4-methoxyphenyl)ethenyl]-7-methylchromen-2-one
CID 15092135
(7-methoxy-2-oxochromen-4-yl)methyl 3-(3,4,5-trimethoxyphenyl)prop-2-enoate
CID 3991487
4-[(E)-2-(5-hydroxy-4-oxopyran-2-yl)ethenyl]-7-methoxychromen-2-one
CID 11324403
[2-oxo-4-(2-phenylethenyl)chromen-7-yl] acetate
CID 91605993
(7-methoxy-2-oxochromen-4-yl)methyl 3,4,5-trimethoxybenzoate
CID 3971708
4-(iodomethyl)-7-methoxychromen-2-one
CID 129188629
4-(3,4-dimethoxyphenyl)-7-methoxychromen-2-one
CID 46879082
(4-methyl-2-oxochromen-7-yl) (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate
CID 1181224
7-methoxy-4-[(E)-(6-methyl-3-oxo-1-benzofuran-2-ylidene)methyl]chromen-2-one
CID 177413343
4-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]benzo[h]chromen-2-one
CID 155523051
4-[(Z)-4-chrysen-1-ylbut-1-enyl]-7-methoxychromen-2-one
CID 144983859

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]chromen-2-one?
The IUPAC name of 7-methoxy-4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]chromen-2-one (CID 46887465) is 7-methoxy-4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]chromen-2-one.
What is the SMILES notation for 7-methoxy-4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]chromen-2-one?
The canonical SMILES for 7-methoxy-4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]chromen-2-one is COc1ccc2c(/C=C/c3cc(OC)c(OC)c(OC)c3)cc(=O)oc2c1.
What is the InChIKey of 7-methoxy-4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]chromen-2-one?
The InChIKey is VEGKVTYAYALMCK-AATRIKPKSA-N. The full InChI is InChI=1S/C21H20O6/c1-23-15-7-8-16-14(11-20(22)27-17(16)12-15)6-5-13-9-18(24-2)21(26-4)19(10-13)25-3/h5-12H,1-4H3/b6-5+.
What are the key properties of 7-methoxy-4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]chromen-2-one?
7-methoxy-4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]chromen-2-one has a molecular weight of 368.39 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]chromen-2-one is sourced from PubChem (CID 46887465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).