7-methoxy-2-[4-(3-methylbut-3-enyl)phenyl]chromen-4-one

C21H20O3 — CID 150348000

IUPAC7-methoxy-2-[4-(3-methylbut-3-enyl)phenyl]chromen-4-one
SMILESC=C(C)CCc1ccc(-c2cc(=O)c3ccc(OC)cc3o2)cc1
InChIInChI=1S/C21H20O3/c1-14(2)4-5-15-6-8-16(9-7-15)20-13-19(22)18-11-10-17(23-3)12-21(18)24-20/h6-13H,1,4-5H2,2-3H3
InChIKeyGTCZDCGCQVSSQJ-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.98
Rot. Bonds5

About 7-methoxy-2-[4-(3-methylbut-3-enyl)phenyl]chromen-4-one

7-methoxy-2-[4-(3-methylbut-3-enyl)phenyl]chromen-4-one (PubChem CID 150348000) has the molecular formula C21H20O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 7-methoxy-2-[4-(3-methylbut-3-enyl)phenyl]chromen-4-one.

Molecular Properties

Compound Name7-methoxy-2-[4-(3-methylbut-3-enyl)phenyl]chromen-4-one
PubChem CID150348000
Molecular FormulaC21H20O3
Molecular Weight320.39 g/mol
Exact Mass320.14
IUPAC Name7-methoxy-2-[4-(3-methylbut-3-enyl)phenyl]chromen-4-one
SMILESC=C(C)CCc1ccc(-c2cc(=O)c3ccc(OC)cc3o2)cc1
InChIInChI=1S/C21H20O3/c1-14(2)4-5-15-6-8-16(9-7-15)20-13-19(22)18-11-10-17(23-3)12-21(18)24-20/h6-13H,1,4-5H2,2-3H3
InChIKeyGTCZDCGCQVSSQJ-UHFFFAOYSA-N
XLogP4.98
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromophenyl)-7-methoxychromen-4-one
CID 25032618
2-(furan-3-yl)-7-methoxychromen-4-one
CID 127033457
6,7-dimethoxy-2-[4-(4-methoxyphenyl)phenyl]chromen-4-one
CID 155754088
2-ethyl-7-methoxychromen-4-one
CID 10013150
7-hydroxy-8-[[7-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]methyl]-2-(4-methoxyphenyl)chromen-4-one
CID 91431770
methyl 7-methoxy-4-oxochromene-2-carboxylate
CID 739444
(4-oxo-2-phenylchromen-7-yl) acetate
CID 12553720
2-(6-methoxynaphthalen-2-yl)chromen-4-one
CID 132606136
2-(4-butylphenyl)chromen-4-one
CID 154714273
2-(4-tert-butylphenyl)-6-methoxychromen-4-one
CID 776400
2-(4-methoxyphenyl)pyrano[2,3-c]pyridin-4-one
CID 53487406
7-(4-methoxyanilino)-2-phenylchromen-4-one
CID 122366467

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-[4-(3-methylbut-3-enyl)phenyl]chromen-4-one?
The IUPAC name of 7-methoxy-2-[4-(3-methylbut-3-enyl)phenyl]chromen-4-one (CID 150348000) is 7-methoxy-2-[4-(3-methylbut-3-enyl)phenyl]chromen-4-one.
What is the SMILES notation for 7-methoxy-2-[4-(3-methylbut-3-enyl)phenyl]chromen-4-one?
The canonical SMILES for 7-methoxy-2-[4-(3-methylbut-3-enyl)phenyl]chromen-4-one is C=C(C)CCc1ccc(-c2cc(=O)c3ccc(OC)cc3o2)cc1.
What is the InChIKey of 7-methoxy-2-[4-(3-methylbut-3-enyl)phenyl]chromen-4-one?
The InChIKey is GTCZDCGCQVSSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O3/c1-14(2)4-5-15-6-8-16(9-7-15)20-13-19(22)18-11-10-17(23-3)12-21(18)24-20/h6-13H,1,4-5H2,2-3H3.
What are the key properties of 7-methoxy-2-[4-(3-methylbut-3-enyl)phenyl]chromen-4-one?
7-methoxy-2-[4-(3-methylbut-3-enyl)phenyl]chromen-4-one has a molecular weight of 320.39 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-[4-(3-methylbut-3-enyl)phenyl]chromen-4-one is sourced from PubChem (CID 150348000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).