9-[3-(2-methoxyethoxymethoxy)propyl]furo[3,2-g]chromen-7-one

C18H20O6 — CID 142673674

IUPAC9-[3-(2-methoxyethoxymethoxy)propyl]furo[3,2-g]chromen-7-one
SMILESCOCCOCOCCCc1c2occc2cc2ccc(=O)oc12
InChIInChI=1S/C18H20O6/c1-20-9-10-22-12-21-7-2-3-15-17-14(6-8-23-17)11-13-4-5-16(19)24-18(13)15/h4-6,8,11H,2-3,7,9-10,12H2,1H3
InChIKeyOQKYFOBEEMELLA-UHFFFAOYSA-N
MW332.35 g/mol
LogP3.11
Rot. Bonds9

About 9-[3-(2-methoxyethoxymethoxy)propyl]furo[3,2-g]chromen-7-one

9-[3-(2-methoxyethoxymethoxy)propyl]furo[3,2-g]chromen-7-one (PubChem CID 142673674) has the molecular formula C18H20O6 and a molecular weight of 332.35 g/mol. Its IUPAC name is 9-[3-(2-methoxyethoxymethoxy)propyl]furo[3,2-g]chromen-7-one.

Molecular Properties

Compound Name9-[3-(2-methoxyethoxymethoxy)propyl]furo[3,2-g]chromen-7-one
PubChem CID142673674
Molecular FormulaC18H20O6
Molecular Weight332.35 g/mol
Exact Mass332.13
IUPAC Name9-[3-(2-methoxyethoxymethoxy)propyl]furo[3,2-g]chromen-7-one
SMILESCOCCOCOCCCc1c2occc2cc2ccc(=O)oc12
InChIInChI=1S/C18H20O6/c1-20-9-10-22-12-21-7-2-3-15-17-14(6-8-23-17)11-13-4-5-16(19)24-18(13)15/h4-6,8,11H,2-3,7,9-10,12H2,1H3
InChIKeyOQKYFOBEEMELLA-UHFFFAOYSA-N
XLogP3.11
TPSA71.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-[3-(2-methoxyethoxymethoxy)propyl]furo[3,2-g]chromen-7-one?
The IUPAC name of 9-[3-(2-methoxyethoxymethoxy)propyl]furo[3,2-g]chromen-7-one (CID 142673674) is 9-[3-(2-methoxyethoxymethoxy)propyl]furo[3,2-g]chromen-7-one.
What is the SMILES notation for 9-[3-(2-methoxyethoxymethoxy)propyl]furo[3,2-g]chromen-7-one?
The canonical SMILES for 9-[3-(2-methoxyethoxymethoxy)propyl]furo[3,2-g]chromen-7-one is COCCOCOCCCc1c2occc2cc2ccc(=O)oc12.
What is the InChIKey of 9-[3-(2-methoxyethoxymethoxy)propyl]furo[3,2-g]chromen-7-one?
The InChIKey is OQKYFOBEEMELLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O6/c1-20-9-10-22-12-21-7-2-3-15-17-14(6-8-23-17)11-13-4-5-16(19)24-18(13)15/h4-6,8,11H,2-3,7,9-10,12H2,1H3.
What are the key properties of 9-[3-(2-methoxyethoxymethoxy)propyl]furo[3,2-g]chromen-7-one?
9-[3-(2-methoxyethoxymethoxy)propyl]furo[3,2-g]chromen-7-one has a molecular weight of 332.35 g/mol, XLogP of 3.11, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(2-methoxyethoxymethoxy)propyl]furo[3,2-g]chromen-7-one is sourced from PubChem (CID 142673674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).