8-[2-[(2-methoxyphenyl)methyl]but-1-enyl]-2-methylchromen-4-one

C22H22O3 — CID 91582125

IUPAC8-[2-[(2-methoxyphenyl)methyl]but-1-enyl]-2-methylchromen-4-one
SMILESCCC(=Cc1cccc2c(=O)cc(C)oc12)Cc1ccccc1OC
InChIInChI=1S/C22H22O3/c1-4-16(13-17-8-5-6-11-21(17)24-3)14-18-9-7-10-19-20(23)12-15(2)25-22(18)19/h5-12,14H,4,13H2,1-3H3
InChIKeyGVZIAOWAFBELBR-UHFFFAOYSA-N
MW334.42 g/mol
LogP5.15
Rot. Bonds5

About 8-[2-[(2-methoxyphenyl)methyl]but-1-enyl]-2-methylchromen-4-one

8-[2-[(2-methoxyphenyl)methyl]but-1-enyl]-2-methylchromen-4-one (PubChem CID 91582125) has the molecular formula C22H22O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 8-[2-[(2-methoxyphenyl)methyl]but-1-enyl]-2-methylchromen-4-one.

Molecular Properties

Compound Name8-[2-[(2-methoxyphenyl)methyl]but-1-enyl]-2-methylchromen-4-one
PubChem CID91582125
Molecular FormulaC22H22O3
Molecular Weight334.42 g/mol
Exact Mass334.16
IUPAC Name8-[2-[(2-methoxyphenyl)methyl]but-1-enyl]-2-methylchromen-4-one
SMILESCCC(=Cc1cccc2c(=O)cc(C)oc12)Cc1ccccc1OC
InChIInChI=1S/C22H22O3/c1-4-16(13-17-8-5-6-11-21(17)24-3)14-18-9-7-10-19-20(23)12-15(2)25-22(18)19/h5-12,14H,4,13H2,1-3H3
InChIKeyGVZIAOWAFBELBR-UHFFFAOYSA-N
XLogP5.15
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.42
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-8-[(E)-prop-1-enyl]chromen-4-one
CID 57438887
cyclopropylmethyl 2-[(2-methyl-4-oxochromen-8-yl)methylidene]-3-oxobutanoate
CID 67342865
2-cyanoethyl (2Z)-2-[(2-methyl-4-oxochromen-8-yl)methylidene]-3-oxobutanoate
CID 86642027
cyclobutylmethyl 2-[(2-methyl-4-oxochromen-8-yl)methylidene]-3-oxobutanoate
CID 66991437
11-methoxy-2-methylnaphtho[2,3-h]chromene-4,7,12-trione
CID 10471228
8-amino-2-methylchromen-4-one
CID 147973217
2-(4-hydroxyphenyl)-8-methoxychromen-4-one
CID 11687621
ethyl 2-(8-methoxy-4-oxochromen-2-yl)cyclopropane-1-carboxylate
CID 21440277
(2-(111C)methoxyphenyl)methanol
CID 59897789
1-(2,6-dimethoxyphenyl)-2-(2-methoxyphenyl)ethanone
CID 61080267
2-[4-oxo-2-(2,3,4-trimethoxyphenyl)chromen-8-yl]acetic acid
CID 10595321
8-methoxy-4-propylchromen-2-one
CID 42602895

Frequently Asked Questions

What is the IUPAC name of 8-[2-[(2-methoxyphenyl)methyl]but-1-enyl]-2-methylchromen-4-one?
The IUPAC name of 8-[2-[(2-methoxyphenyl)methyl]but-1-enyl]-2-methylchromen-4-one (CID 91582125) is 8-[2-[(2-methoxyphenyl)methyl]but-1-enyl]-2-methylchromen-4-one.
What is the SMILES notation for 8-[2-[(2-methoxyphenyl)methyl]but-1-enyl]-2-methylchromen-4-one?
The canonical SMILES for 8-[2-[(2-methoxyphenyl)methyl]but-1-enyl]-2-methylchromen-4-one is CCC(=Cc1cccc2c(=O)cc(C)oc12)Cc1ccccc1OC.
What is the InChIKey of 8-[2-[(2-methoxyphenyl)methyl]but-1-enyl]-2-methylchromen-4-one?
The InChIKey is GVZIAOWAFBELBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O3/c1-4-16(13-17-8-5-6-11-21(17)24-3)14-18-9-7-10-19-20(23)12-15(2)25-22(18)19/h5-12,14H,4,13H2,1-3H3.
What are the key properties of 8-[2-[(2-methoxyphenyl)methyl]but-1-enyl]-2-methylchromen-4-one?
8-[2-[(2-methoxyphenyl)methyl]but-1-enyl]-2-methylchromen-4-one has a molecular weight of 334.42 g/mol, XLogP of 5.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[(2-methoxyphenyl)methyl]but-1-enyl]-2-methylchromen-4-one is sourced from PubChem (CID 91582125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).