8-methoxy-4-propylchromen-2-one

C13H14O3 — CID 42602895

IUPAC8-methoxy-4-propylchromen-2-one
SMILESCCCc1cc(=O)oc2c(OC)cccc12
InChIInChI=1S/C13H14O3/c1-3-5-9-8-12(14)16-13-10(9)6-4-7-11(13)15-2/h4,6-8H,3,5H2,1-2H3
InChIKeyGNCPPLMYEQAJHD-UHFFFAOYSA-N
MW218.25 g/mol
LogP2.75
Rot. Bonds3

About 8-methoxy-4-propylchromen-2-one

8-methoxy-4-propylchromen-2-one (PubChem CID 42602895) has the molecular formula C13H14O3 and a molecular weight of 218.25 g/mol. Its IUPAC name is 8-methoxy-4-propylchromen-2-one.

Molecular Properties

Compound Name8-methoxy-4-propylchromen-2-one
PubChem CID42602895
Molecular FormulaC13H14O3
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Name8-methoxy-4-propylchromen-2-one
SMILESCCCc1cc(=O)oc2c(OC)cccc12
InChIInChI=1S/C13H14O3/c1-3-5-9-8-12(14)16-13-10(9)6-4-7-11(13)15-2/h4,6-8H,3,5H2,1-2H3
InChIKeyGNCPPLMYEQAJHD-UHFFFAOYSA-N
XLogP2.75
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-hydroxy-6-methoxy-4-propylchromen-2-one
CID 125486697
(6-chloro-7-hydroxy-2-oxo-4-propylchromen-8-yl)methyl-[2-(2-methoxyphenyl)ethyl]azanium
CID 7692442
methyl 2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxyacetate
CID 4914970
8-methyl-7-prop-2-enoxy-4-propylchromen-2-one
CID 23459774
(8-methyl-2-oxo-4-propylchromen-7-yl) furan-2-carboxylate
CID 906606
(2-oxo-4-propylchromen-7-yl) 2-(2-methoxyphenoxy)acetate
CID 7923747
7-hydroxy-8-propan-2-yl-4-propylchromen-2-one
CID 89426551
4-ethyl-8-methoxy-1,3-benzoxazin-2-one
CID 71154693
8-methyl-7-[(E)-3-phenylprop-2-enoxy]-4-propylchromen-2-one
CID 2299144
8-(1-aminopropyl)-5,7-dimethoxy-4-propylchromen-2-one
CID 5270980
4-propyl-7-[(3,4,5-trimethoxyphenyl)methoxy]chromen-2-one
CID 1325534
3,4-dichloro-8-methoxychromen-2-one
CID 12521868

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-4-propylchromen-2-one?
The IUPAC name of 8-methoxy-4-propylchromen-2-one (CID 42602895) is 8-methoxy-4-propylchromen-2-one.
What is the SMILES notation for 8-methoxy-4-propylchromen-2-one?
The canonical SMILES for 8-methoxy-4-propylchromen-2-one is CCCc1cc(=O)oc2c(OC)cccc12.
What is the InChIKey of 8-methoxy-4-propylchromen-2-one?
The InChIKey is GNCPPLMYEQAJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O3/c1-3-5-9-8-12(14)16-13-10(9)6-4-7-11(13)15-2/h4,6-8H,3,5H2,1-2H3.
What are the key properties of 8-methoxy-4-propylchromen-2-one?
8-methoxy-4-propylchromen-2-one has a molecular weight of 218.25 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-4-propylchromen-2-one is sourced from PubChem (CID 42602895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).