1-[5,7-dimethoxy-2-methyl-2-(4-methylpent-3-enyl)chromen-6-yl]ethanone

C20H26O4 — CID 126659202

IUPAC1-[5,7-dimethoxy-2-methyl-2-(4-methylpent-3-enyl)chromen-6-yl]ethanone
SMILESCOc1cc2c(c(OC)c1C(C)=O)C=CC(C)(CCC=C(C)C)O2
InChIInChI=1S/C20H26O4/c1-13(2)8-7-10-20(4)11-9-15-16(24-20)12-17(22-5)18(14(3)21)19(15)23-6/h8-9,11-12H,7,10H2,1-6H3
InChIKeyBXSPYDARLGLDIB-UHFFFAOYSA-N
MW330.42 g/mol
LogP4.82
Rot. Bonds6

About 1-[5,7-dimethoxy-2-methyl-2-(4-methylpent-3-enyl)chromen-6-yl]ethanone

1-[5,7-dimethoxy-2-methyl-2-(4-methylpent-3-enyl)chromen-6-yl]ethanone (PubChem CID 126659202) has the molecular formula C20H26O4 and a molecular weight of 330.42 g/mol. Its IUPAC name is 1-[5,7-dimethoxy-2-methyl-2-(4-methylpent-3-enyl)chromen-6-yl]ethanone.

Molecular Properties

Compound Name1-[5,7-dimethoxy-2-methyl-2-(4-methylpent-3-enyl)chromen-6-yl]ethanone
PubChem CID126659202
Molecular FormulaC20H26O4
Molecular Weight330.42 g/mol
Exact Mass330.18
IUPAC Name1-[5,7-dimethoxy-2-methyl-2-(4-methylpent-3-enyl)chromen-6-yl]ethanone
SMILESCOc1cc2c(c(OC)c1C(C)=O)C=CC(C)(CCC=C(C)C)O2
InChIInChI=1S/C20H26O4/c1-13(2)8-7-10-20(4)11-9-15-16(24-20)12-17(22-5)18(14(3)21)19(15)23-6/h8-9,11-12H,7,10H2,1-6H3
InChIKeyBXSPYDARLGLDIB-UHFFFAOYSA-N
XLogP4.82
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(5,7-dimethoxy-2,2-dimethylchromen-6-yl)ethanone
CID 66573258
(3R)-10-methoxy-3-methyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazole-8-carbaldehyde
CID 163192949
1-[7-hydroxy-5-methoxy-2-methyl-2-(4-methylpent-3-enyl)chromen-8-yl]-3-phenylprop-2-en-1-one
CID 5256732
2-[2,7-dimethyl-2-(4-methylpent-3-enyl)-5-oxopyrano[3,2-c]pyridin-6-yl]acetic acid
CID 110091397
ethyl 7-hydroxy-2-methyl-2-(4-methylpent-3-enyl)-5-pentylchromene-6-carboxylate
CID 163016024
(2R)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-5-hydroxy-2,7-dimethylchromene-6-carboxylic acid
CID 11696381
5-[5-hydroxy-2-methyl-2-(4-methylpent-3-enyl)chromen-7-yl]pentanoic acid
CID 164591600
ethyl (2S)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-5-hydroxy-2,7-dimethylchromene-6-carboxylate
CID 101265973
(2S)-5-hydroxy-2-methyl-2-(4-methylpent-3-enyl)-7-[(E)-2-phenylethenyl]chromene-6-carboxylic acid
CID 75593459
7-butyl-2-methyl-2-(4-methylpent-3-enyl)chromen-5-ol
CID 154673208
(2R)-8-[(3E)-4,8-dimethylnona-3,7-dienyl]-5-methoxy-8-methyl-2-phenyl-2,3-dihydropyrano[2,3-h]chromen-4-one
CID 155537241
2-[[(3R)-3,8-dimethyl-3-(4-methylpent-3-enyl)benzo[f]chromen-9-yl]oxymethoxy]ethyl-trimethylsilane
CID 102124419

Frequently Asked Questions

What is the IUPAC name of 1-[5,7-dimethoxy-2-methyl-2-(4-methylpent-3-enyl)chromen-6-yl]ethanone?
The IUPAC name of 1-[5,7-dimethoxy-2-methyl-2-(4-methylpent-3-enyl)chromen-6-yl]ethanone (CID 126659202) is 1-[5,7-dimethoxy-2-methyl-2-(4-methylpent-3-enyl)chromen-6-yl]ethanone.
What is the SMILES notation for 1-[5,7-dimethoxy-2-methyl-2-(4-methylpent-3-enyl)chromen-6-yl]ethanone?
The canonical SMILES for 1-[5,7-dimethoxy-2-methyl-2-(4-methylpent-3-enyl)chromen-6-yl]ethanone is COc1cc2c(c(OC)c1C(C)=O)C=CC(C)(CCC=C(C)C)O2.
What is the InChIKey of 1-[5,7-dimethoxy-2-methyl-2-(4-methylpent-3-enyl)chromen-6-yl]ethanone?
The InChIKey is BXSPYDARLGLDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O4/c1-13(2)8-7-10-20(4)11-9-15-16(24-20)12-17(22-5)18(14(3)21)19(15)23-6/h8-9,11-12H,7,10H2,1-6H3.
What are the key properties of 1-[5,7-dimethoxy-2-methyl-2-(4-methylpent-3-enyl)chromen-6-yl]ethanone?
1-[5,7-dimethoxy-2-methyl-2-(4-methylpent-3-enyl)chromen-6-yl]ethanone has a molecular weight of 330.42 g/mol, XLogP of 4.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5,7-dimethoxy-2-methyl-2-(4-methylpent-3-enyl)chromen-6-yl]ethanone is sourced from PubChem (CID 126659202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).