7,8-bis[2-(2-hydroxyethoxy)ethoxy]-4-methylchromen-2-one

C18H24O8 — CID 25146352

IUPAC7,8-bis[2-(2-hydroxyethoxy)ethoxy]-4-methylchromen-2-one
SMILESCc1cc(=O)oc2c(OCCOCCO)c(OCCOCCO)ccc12
InChIInChI=1S/C18H24O8/c1-13-12-16(21)26-17-14(13)2-3-15(24-10-8-22-6-4-19)18(17)25-11-9-23-7-5-20/h2-3,12,19-20H,4-11H2,1H3
InChIKeyUHZVEWLGKQJVRN-UHFFFAOYSA-N
MW368.38 g/mol
LogP0.88
Rot. Bonds12

About 7,8-bis[2-(2-hydroxyethoxy)ethoxy]-4-methylchromen-2-one

7,8-bis[2-(2-hydroxyethoxy)ethoxy]-4-methylchromen-2-one (PubChem CID 25146352) has the molecular formula C18H24O8 and a molecular weight of 368.38 g/mol. Its IUPAC name is 7,8-bis[2-(2-hydroxyethoxy)ethoxy]-4-methylchromen-2-one.

Molecular Properties

Compound Name7,8-bis[2-(2-hydroxyethoxy)ethoxy]-4-methylchromen-2-one
PubChem CID25146352
Molecular FormulaC18H24O8
Molecular Weight368.38 g/mol
Exact Mass368.15
IUPAC Name7,8-bis[2-(2-hydroxyethoxy)ethoxy]-4-methylchromen-2-one
SMILESCc1cc(=O)oc2c(OCCOCCO)c(OCCOCCO)ccc12
InChIInChI=1S/C18H24O8/c1-13-12-16(21)26-17-14(13)2-3-15(24-10-8-22-6-4-19)18(17)25-11-9-23-7-5-20/h2-3,12,19-20H,4-11H2,1H3
InChIKeyUHZVEWLGKQJVRN-UHFFFAOYSA-N
XLogP0.88
TPSA107.59 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.38
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-7,8-bis(prop-2-enoxy)chromen-2-one
CID 3998544
2-[2-[4,5,8-tris[2-(2-hydroxyethoxy)ethoxy]anthracen-1-yl]oxyethoxy]ethanol
CID 89126006
8-iodo-4-methyl-7-propoxychromen-2-one
CID 2209642
2-(8-methoxy-4-methyl-2-oxochromen-7-yl)oxyacetaldehyde
CID 46703953
(4-methyl-2-oxo-7-phosphonooxychromen-8-yl) dihydrogen phosphate
CID 56839869
4-[2-(2-hydroxyethoxy)ethoxy]-3,5-dimethylbenzaldehyde
CID 61071247
8-iodo-4-methyl-7-(2-oxopropoxy)chromen-2-one
CID 1369817
2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4,5-dimethylphenoxy]ethoxy]ethoxy]ethanol
CID 59950660
2-[2-(4-amino-2,6-dimethylphenoxy)ethoxy]ethanol
CID 11845008
9-(2-hydroxyethoxymethyl)-2,3,5-trimethylfuro[3,2-g]chromen-7-one
CID 18421417
(4,8-dimethyl-2-oxochromen-7-yl) dihydrogen phosphate
CID 56839646
8-acetyl-4-methyl-7-(2-morpholin-4-ylethoxy)chromen-2-one
CID 53304519

Frequently Asked Questions

What is the IUPAC name of 7,8-bis[2-(2-hydroxyethoxy)ethoxy]-4-methylchromen-2-one?
The IUPAC name of 7,8-bis[2-(2-hydroxyethoxy)ethoxy]-4-methylchromen-2-one (CID 25146352) is 7,8-bis[2-(2-hydroxyethoxy)ethoxy]-4-methylchromen-2-one.
What is the SMILES notation for 7,8-bis[2-(2-hydroxyethoxy)ethoxy]-4-methylchromen-2-one?
The canonical SMILES for 7,8-bis[2-(2-hydroxyethoxy)ethoxy]-4-methylchromen-2-one is Cc1cc(=O)oc2c(OCCOCCO)c(OCCOCCO)ccc12.
What is the InChIKey of 7,8-bis[2-(2-hydroxyethoxy)ethoxy]-4-methylchromen-2-one?
The InChIKey is UHZVEWLGKQJVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O8/c1-13-12-16(21)26-17-14(13)2-3-15(24-10-8-22-6-4-19)18(17)25-11-9-23-7-5-20/h2-3,12,19-20H,4-11H2,1H3.
What are the key properties of 7,8-bis[2-(2-hydroxyethoxy)ethoxy]-4-methylchromen-2-one?
7,8-bis[2-(2-hydroxyethoxy)ethoxy]-4-methylchromen-2-one has a molecular weight of 368.38 g/mol, XLogP of 0.88, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-bis[2-(2-hydroxyethoxy)ethoxy]-4-methylchromen-2-one is sourced from PubChem (CID 25146352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).