6-butyl-2,3-dihydrochromen-4-one

C13H16O2 — CID 66595033

IUPAC6-butyl-2,3-dihydrochromen-4-one
SMILESCCCCc1ccc2c(c1)C(=O)CCO2
InChIInChI=1S/C13H16O2/c1-2-3-4-10-5-6-13-11(9-10)12(14)7-8-15-13/h5-6,9H,2-4,7-8H2,1H3
InChIKeyDKWXBQXFGWHYAY-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.99
Rot. Bonds3

About 6-butyl-2,3-dihydrochromen-4-one

6-butyl-2,3-dihydrochromen-4-one (PubChem CID 66595033) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 6-butyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name6-butyl-2,3-dihydrochromen-4-one
PubChem CID66595033
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name6-butyl-2,3-dihydrochromen-4-one
SMILESCCCCc1ccc2c(c1)C(=O)CCO2
InChIInChI=1S/C13H16O2/c1-2-3-4-10-5-6-13-11(9-10)12(14)7-8-15-13/h5-6,9H,2-4,7-8H2,1H3
InChIKeyDKWXBQXFGWHYAY-UHFFFAOYSA-N
XLogP2.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-butyl-2,3-dihydrochromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
CID 150818824
6-[(E)-4-(4-ethylphenyl)but-1-enyl]-2,3-dihydrochromen-4-one
CID 155211404
5-octyl-2,3-dihydroinden-1-one
CID 67248522
6-iodo-2,3-dihydrochromen-4-one
CID 3580262
5-(3-methylbutyl)-1-benzofuran-3-one
CID 158050839
6-[4-(diethylamino)butoxy]-2,3-dihydrochromen-4-one
CID 141195358
6-(2-ethyl-5-methylphenyl)-2,3-dihydrochromen-4-one
CID 174658677
6-hexyl-1,2,3,4-tetrahydroanthracene-9,10-dione
CID 57083921
17-hexyl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene
CID 12543485
14-octadecyl-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-triene
CID 102066946
N-[(5-oxo-3,4-dihydro-2H-1-benzoxepin-7-yl)methyl]acetamide
CID 10609667
(4-oxo-2,3-dihydrochromen-6-yl) thiohypochlorite
CID 57156379

Frequently Asked Questions

What is the IUPAC name of 6-butyl-2,3-dihydrochromen-4-one?
The IUPAC name of 6-butyl-2,3-dihydrochromen-4-one (CID 66595033) is 6-butyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 6-butyl-2,3-dihydrochromen-4-one?
The canonical SMILES for 6-butyl-2,3-dihydrochromen-4-one is CCCCc1ccc2c(c1)C(=O)CCO2.
What is the InChIKey of 6-butyl-2,3-dihydrochromen-4-one?
The InChIKey is DKWXBQXFGWHYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-2-3-4-10-5-6-13-11(9-10)12(14)7-8-15-13/h5-6,9H,2-4,7-8H2,1H3.
What are the key properties of 6-butyl-2,3-dihydrochromen-4-one?
6-butyl-2,3-dihydrochromen-4-one has a molecular weight of 204.27 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 66595033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).