3-but-3-enyl-2,3-dihydrochromen-4-one

C13H14O2 — CID 10536113

IUPAC3-but-3-enyl-2,3-dihydrochromen-4-one
SMILESC=CCCC1COc2ccccc2C1=O
InChIInChI=1S/C13H14O2/c1-2-3-6-10-9-15-12-8-5-4-7-11(12)13(10)14/h2,4-5,7-8,10H,1,3,6,9H2
InChIKeyOKJOVJBXSFFDTK-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.84
Rot. Bonds3

About 3-but-3-enyl-2,3-dihydrochromen-4-one

3-but-3-enyl-2,3-dihydrochromen-4-one (PubChem CID 10536113) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is 3-but-3-enyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name3-but-3-enyl-2,3-dihydrochromen-4-one
PubChem CID10536113
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name3-but-3-enyl-2,3-dihydrochromen-4-one
SMILESC=CCCC1COc2ccccc2C1=O
InChIInChI=1S/C13H14O2/c1-2-3-6-10-9-15-12-8-5-4-7-11(12)13(10)14/h2,4-5,7-8,10H,1,3,6,9H2
InChIKeyOKJOVJBXSFFDTK-UHFFFAOYSA-N
XLogP2.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.84
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

Flavonol
CID 11349
Flavanone
CID 10251
Flavone
CID 10680
Xanthone
CID 7020
Isoflavone
CID 72304
6-Methoxyflavone
CID 147157
4'-Hydroxyflavanone
CID 165506
2-Methoxybenzaldehyde
CID 8658
3-Methylchromone
CID 66569
Ethyl 2-Methoxybenzoate
CID 81784
2'-Hydroxyflavone
CID 161860
4'-Methoxyflavone
CID 77793

Frequently Asked Questions

What is the IUPAC name of 3-but-3-enyl-2,3-dihydrochromen-4-one?
The IUPAC name of 3-but-3-enyl-2,3-dihydrochromen-4-one (CID 10536113) is 3-but-3-enyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 3-but-3-enyl-2,3-dihydrochromen-4-one?
The canonical SMILES for 3-but-3-enyl-2,3-dihydrochromen-4-one is C=CCCC1COc2ccccc2C1=O.
What is the InChIKey of 3-but-3-enyl-2,3-dihydrochromen-4-one?
The InChIKey is OKJOVJBXSFFDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2/c1-2-3-6-10-9-15-12-8-5-4-7-11(12)13(10)14/h2,4-5,7-8,10H,1,3,6,9H2.
What are the key properties of 3-but-3-enyl-2,3-dihydrochromen-4-one?
3-but-3-enyl-2,3-dihydrochromen-4-one has a molecular weight of 202.25 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-3-enyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 10536113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).