6-acetyl-7-propoxychromen-2-one

C14H14O4 — CID 52940758

IUPAC6-acetyl-7-propoxychromen-2-one
SMILESCCCOc1cc2oc(=O)ccc2cc1C(C)=O
InChIInChI=1S/C14H14O4/c1-3-6-17-13-8-12-10(4-5-14(16)18-12)7-11(13)9(2)15/h4-5,7-8H,3,6H2,1-2H3
InChIKeyVIKCPCBUFQJHPC-UHFFFAOYSA-N
MW246.26 g/mol
LogP2.78
Rot. Bonds4

About 6-acetyl-7-propoxychromen-2-one

6-acetyl-7-propoxychromen-2-one (PubChem CID 52940758) has the molecular formula C14H14O4 and a molecular weight of 246.26 g/mol. Its IUPAC name is 6-acetyl-7-propoxychromen-2-one.

Molecular Properties

Compound Name6-acetyl-7-propoxychromen-2-one
PubChem CID52940758
Molecular FormulaC14H14O4
Molecular Weight246.26 g/mol
Exact Mass246.09
IUPAC Name6-acetyl-7-propoxychromen-2-one
SMILESCCCOc1cc2oc(=O)ccc2cc1C(C)=O
InChIInChI=1S/C14H14O4/c1-3-6-17-13-8-12-10(4-5-14(16)18-12)7-11(13)9(2)15/h4-5,7-8H,3,6H2,1-2H3
InChIKeyVIKCPCBUFQJHPC-UHFFFAOYSA-N
XLogP2.78
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-hydroxy-7-propoxychromen-2-one
CID 101030918
3-acetyl-7-butoxychromen-2-one
CID 166072598
7-[2-(4-propoxyphenoxy)ethoxy]chromen-2-one
CID 112775413
7-butoxy-2-oxochromene-6-carbaldehyde
CID 88582324
7-ethoxy-6-hydroxychromen-2-one
CID 13031686
2-(6-ethyl-2-oxochromen-7-yl)oxyacetic acid
CID 88514719
4-(7-methoxy-2-oxochromen-6-yl)oxybutanoic acid
CID 54430844
6-(2-oxopropoxy)chromen-2-one
CID 58420964
1-(2,3,4-tripropoxyphenyl)ethanone
CID 93191480
N-tert-butyl-2-oxo-7-propoxychromene-3-carboxamide
CID 5263306
1-[5-acetyl-6-[2-(diethylamino)ethoxy]-1-benzofuran-2-yl]ethanone;hydrochloride
CID 24838037
(2-oxochromen-7-yl) butanoate
CID 781717

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-7-propoxychromen-2-one?
The IUPAC name of 6-acetyl-7-propoxychromen-2-one (CID 52940758) is 6-acetyl-7-propoxychromen-2-one.
What is the SMILES notation for 6-acetyl-7-propoxychromen-2-one?
The canonical SMILES for 6-acetyl-7-propoxychromen-2-one is CCCOc1cc2oc(=O)ccc2cc1C(C)=O.
What is the InChIKey of 6-acetyl-7-propoxychromen-2-one?
The InChIKey is VIKCPCBUFQJHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4/c1-3-6-17-13-8-12-10(4-5-14(16)18-12)7-11(13)9(2)15/h4-5,7-8H,3,6H2,1-2H3.
What are the key properties of 6-acetyl-7-propoxychromen-2-one?
6-acetyl-7-propoxychromen-2-one has a molecular weight of 246.26 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-7-propoxychromen-2-one is sourced from PubChem (CID 52940758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).