5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-(4-methylphenyl)chromen-4-one

C21H20O4 — CID 139750917

IUPAC5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-(4-methylphenyl)chromen-4-one
SMILESCC(C)=CCc1c(O)cc(O)c2c(=O)cc(-c3ccc(C)cc3)oc12
InChIInChI=1S/C21H20O4/c1-12(2)4-9-15-16(22)10-17(23)20-18(24)11-19(25-21(15)20)14-7-5-13(3)6-8-14/h4-8,10-11,22-23H,9H2,1-3H3
InChIKeyZUQDQNFLPRDADT-UHFFFAOYSA-N
MW336.39 g/mol
LogP4.69
Rot. Bonds3

About 5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-(4-methylphenyl)chromen-4-one

5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-(4-methylphenyl)chromen-4-one (PubChem CID 139750917) has the molecular formula C21H20O4 and a molecular weight of 336.39 g/mol. Its IUPAC name is 5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-(4-methylphenyl)chromen-4-one.

Molecular Properties

Compound Name5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-(4-methylphenyl)chromen-4-one
PubChem CID139750917
Molecular FormulaC21H20O4
Molecular Weight336.39 g/mol
Exact Mass336.14
IUPAC Name5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-(4-methylphenyl)chromen-4-one
SMILESCC(C)=CCc1c(O)cc(O)c2c(=O)cc(-c3ccc(C)cc3)oc12
InChIInChI=1S/C21H20O4/c1-12(2)4-9-15-16(22)10-17(23)20-18(24)11-19(25-21(15)20)14-7-5-13(3)6-8-14/h4-8,10-11,22-23H,9H2,1-3H3
InChIKeyZUQDQNFLPRDADT-UHFFFAOYSA-N
XLogP4.69
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromophenyl)-5,7-dihydroxy-8-(3-methylbut-2-enyl)chromen-4-one
CID 139750916
2-(4-chlorophenyl)-5,7-dihydroxy-8-(3-methylbut-2-enyl)chromen-4-one
CID 59152467
5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-phenylchromen-4-one
CID 5281903
5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-(3,4,5-trimethoxyphenyl)chromen-4-one
CID 44562556
2-[3,4-dihydroxy-5-(2-hydroxy-3-methylbut-3-enyl)phenyl]-5,7-dihydroxy-8-(3-methylbut-2-enyl)chromen-4-one
CID 131676093
5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[[4-(4-methylphenyl)piperazin-1-yl]methyl]chromen-4-one
CID 164609306
8-ethyl-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one
CID 130427398
5,7-dimethoxy-8-(3-methylbut-2-enyl)-2-phenylchromen-4-one
CID 6481172
2-(furan-2-yl)-7-hydroxy-5-methoxy-8-(3-methylbut-2-enyl)chromen-4-one
CID 166172029
2-(4-bromophenyl)-5,7-dihydroxy-3-methoxy-8-(3-methylbut-2-enyl)chromen-4-one
CID 71660987
5,7-dihydroxy-2-(hydroxymethyl)-8-(4-hydroxy-3-methylbut-2-enyl)chromen-4-one
CID 74817389
1,3,7-trihydroxy-4-(3-methylbut-2-enyl)xanthen-9-one
CID 123280234

Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-(4-methylphenyl)chromen-4-one?
The IUPAC name of 5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-(4-methylphenyl)chromen-4-one (CID 139750917) is 5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-(4-methylphenyl)chromen-4-one.
What is the SMILES notation for 5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-(4-methylphenyl)chromen-4-one?
The canonical SMILES for 5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-(4-methylphenyl)chromen-4-one is CC(C)=CCc1c(O)cc(O)c2c(=O)cc(-c3ccc(C)cc3)oc12.
What is the InChIKey of 5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-(4-methylphenyl)chromen-4-one?
The InChIKey is ZUQDQNFLPRDADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O4/c1-12(2)4-9-15-16(22)10-17(23)20-18(24)11-19(25-21(15)20)14-7-5-13(3)6-8-14/h4-8,10-11,22-23H,9H2,1-3H3.
What are the key properties of 5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-(4-methylphenyl)chromen-4-one?
5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-(4-methylphenyl)chromen-4-one has a molecular weight of 336.39 g/mol, XLogP of 4.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-(4-methylphenyl)chromen-4-one is sourced from PubChem (CID 139750917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).