4-methyl-6,7-dipropoxychromen-2-one

C16H20O4 — CID 4914961

IUPAC4-methyl-6,7-dipropoxychromen-2-one
SMILESCCCOc1cc2oc(=O)cc(C)c2cc1OCCC
InChIInChI=1S/C16H20O4/c1-4-6-18-14-9-12-11(3)8-16(17)20-13(12)10-15(14)19-7-5-2/h8-10H,4-7H2,1-3H3
InChIKeyWIPLLFDNFRHILC-UHFFFAOYSA-N
MW276.33 g/mol
LogP3.68
Rot. Bonds6

About 4-methyl-6,7-dipropoxychromen-2-one

4-methyl-6,7-dipropoxychromen-2-one (PubChem CID 4914961) has the molecular formula C16H20O4 and a molecular weight of 276.33 g/mol. Its IUPAC name is 4-methyl-6,7-dipropoxychromen-2-one.

Molecular Properties

Compound Name4-methyl-6,7-dipropoxychromen-2-one
PubChem CID4914961
Molecular FormulaC16H20O4
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC Name4-methyl-6,7-dipropoxychromen-2-one
SMILESCCCOc1cc2oc(=O)cc(C)c2cc1OCCC
InChIInChI=1S/C16H20O4/c1-4-6-18-14-9-12-11(3)8-16(17)20-13(12)10-15(14)19-7-5-2/h8-10H,4-7H2,1-3H3
InChIKeyWIPLLFDNFRHILC-UHFFFAOYSA-N
XLogP3.68
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 53.68
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-ethyl-4-methyl-7-pentoxychromen-2-one
CID 86046228
4-methyl-6-nitro-7-pentoxychromen-2-one
CID 19194754
6-butoxy-4-methylchromen-2-one
CID 91726871
4-(6-chloro-4-methyl-2-oxochromen-7-yl)oxybutanoic acid
CID 20990338
8-iodo-4-methyl-7-propoxychromen-2-one
CID 2209642
7-(ethoxymethoxy)-6-ethyl-4-methylchromen-2-one
CID 11777481
6,7-bis(1-hydroxyethoxy)-4-methylchromen-2-one
CID 20526547
(4-methyl-2-oxo-6-sulfooxychromen-7-yl) hydrogen sulfate
CID 13963
2-(6-ethyl-4-methyl-2-oxochromen-7-yl)oxyacetic acid
CID 794317
2,3,6,7,10,11-hexapropoxytriphenylene
CID 15531608
7-(diethylamino)-4,6-dimethylchromen-2-one
CID 11736705
6-decoxy-4-methylchromen-2-one
CID 3818631

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6,7-dipropoxychromen-2-one?
The IUPAC name of 4-methyl-6,7-dipropoxychromen-2-one (CID 4914961) is 4-methyl-6,7-dipropoxychromen-2-one.
What is the SMILES notation for 4-methyl-6,7-dipropoxychromen-2-one?
The canonical SMILES for 4-methyl-6,7-dipropoxychromen-2-one is CCCOc1cc2oc(=O)cc(C)c2cc1OCCC.
What is the InChIKey of 4-methyl-6,7-dipropoxychromen-2-one?
The InChIKey is WIPLLFDNFRHILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O4/c1-4-6-18-14-9-12-11(3)8-16(17)20-13(12)10-15(14)19-7-5-2/h8-10H,4-7H2,1-3H3.
What are the key properties of 4-methyl-6,7-dipropoxychromen-2-one?
4-methyl-6,7-dipropoxychromen-2-one has a molecular weight of 276.33 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6,7-dipropoxychromen-2-one is sourced from PubChem (CID 4914961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).