2-(2,2-dimethylbut-3-enyl)chromen-4-one

C15H16O2 — CID 166444430

IUPAC2-(2,2-dimethylbut-3-enyl)chromen-4-one
SMILESC=CC(C)(C)Cc1cc(=O)c2ccccc2o1
InChIInChI=1S/C15H16O2/c1-4-15(2,3)10-11-9-13(16)12-7-5-6-8-14(12)17-11/h4-9H,1,10H2,2-3H3
InChIKeyYOWRHYQWJLFDPC-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.55
Rot. Bonds3

About 2-(2,2-dimethylbut-3-enyl)chromen-4-one

2-(2,2-dimethylbut-3-enyl)chromen-4-one (PubChem CID 166444430) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-(2,2-dimethylbut-3-enyl)chromen-4-one.

Molecular Properties

Compound Name2-(2,2-dimethylbut-3-enyl)chromen-4-one
PubChem CID166444430
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name2-(2,2-dimethylbut-3-enyl)chromen-4-one
SMILESC=CC(C)(C)Cc1cc(=O)c2ccccc2o1
InChIInChI=1S/C15H16O2/c1-4-15(2,3)10-11-9-13(16)12-7-5-6-8-14(12)17-11/h4-9H,1,10H2,2-3H3
InChIKeyYOWRHYQWJLFDPC-UHFFFAOYSA-N
XLogP3.55
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(hydroxymethyl)chromen-4-one
CID 12536095
2-(ethylamino)chromen-4-one
CID 86025135
2-(3-chloropropyl)chromen-4-one
CID 11127898
2-[(3E)-hexa-1,3,5-trien-3-yl]chromen-4-one
CID 163300846
methanamine;2-methylchromen-4-one
CID 91311034
2-[3-(4-methoxyphenyl)prop-2-enyl]chromen-4-one
CID 70138614
2-methylsulfinylchromen-4-one
CID 86198403
2-[(E)-2-(furan-2-yl)ethenyl]chromen-4-one
CID 10879170
2-propoxychromen-4-one
CID 19038250
2-phenylchromen-4-one
CID 90124083
2-(3,5-ditert-butyl-4-hydroxyphenyl)chromen-4-one
CID 10521834
2-[2-(3-hydroxy-4-methoxyphenyl)ethyl]chromen-4-one
CID 162852587

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylbut-3-enyl)chromen-4-one?
The IUPAC name of 2-(2,2-dimethylbut-3-enyl)chromen-4-one (CID 166444430) is 2-(2,2-dimethylbut-3-enyl)chromen-4-one.
What is the SMILES notation for 2-(2,2-dimethylbut-3-enyl)chromen-4-one?
The canonical SMILES for 2-(2,2-dimethylbut-3-enyl)chromen-4-one is C=CC(C)(C)Cc1cc(=O)c2ccccc2o1.
What is the InChIKey of 2-(2,2-dimethylbut-3-enyl)chromen-4-one?
The InChIKey is YOWRHYQWJLFDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c1-4-15(2,3)10-11-9-13(16)12-7-5-6-8-14(12)17-11/h4-9H,1,10H2,2-3H3.
What are the key properties of 2-(2,2-dimethylbut-3-enyl)chromen-4-one?
2-(2,2-dimethylbut-3-enyl)chromen-4-one has a molecular weight of 228.29 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylbut-3-enyl)chromen-4-one is sourced from PubChem (CID 166444430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).