4-propoxyfuro[3,2-g]chromen-7-one

C14H12O4 — CID 86101667

IUPAC4-propoxyfuro[3,2-g]chromen-7-one
SMILESCCCOc1c2ccoc2cc2oc(=O)ccc12
InChIInChI=1S/C14H12O4/c1-2-6-17-14-9-3-4-13(15)18-12(9)8-11-10(14)5-7-16-11/h3-5,7-8H,2,6H2,1H3
InChIKeyIISLPJKQGLNWNI-UHFFFAOYSA-N
MW244.25 g/mol
LogP3.33
Rot. Bonds3

About 4-propoxyfuro[3,2-g]chromen-7-one

4-propoxyfuro[3,2-g]chromen-7-one (PubChem CID 86101667) has the molecular formula C14H12O4 and a molecular weight of 244.25 g/mol. Its IUPAC name is 4-propoxyfuro[3,2-g]chromen-7-one.

Molecular Properties

Compound Name4-propoxyfuro[3,2-g]chromen-7-one
PubChem CID86101667
Molecular FormulaC14H12O4
Molecular Weight244.25 g/mol
Exact Mass244.07
IUPAC Name4-propoxyfuro[3,2-g]chromen-7-one
SMILESCCCOc1c2ccoc2cc2oc(=O)ccc12
InChIInChI=1S/C14H12O4/c1-2-6-17-14-9-3-4-13(15)18-12(9)8-11-10(14)5-7-16-11/h3-5,7-8H,2,6H2,1H3
InChIKeyIISLPJKQGLNWNI-UHFFFAOYSA-N
XLogP3.33
TPSA52.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 53.33
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

diethyl-[2-(7-oxofuro[3,2-g]chromen-4-yl)oxyethyl]azanium chloride
CID 5458787
4-pent-4-ynoxyfuro[3,2-g]chromen-7-one
CID 11659029
4-[(Z)-but-2-enoxy]furo[3,2-g]chromen-7-one
CID 142092085
4-[3-(4-fluorophenoxy)propoxy]furo[3,2-g]chromen-7-one
CID 11717338
(7-oxofuro[3,2-g]chromen-4-yl) acetate
CID 802311
ethane;4-[3-(4-fluorocyclohepta-1,3-dien-1-yl)oxypropoxy]furo[3,2-g]chromen-7-one
CID 143214032
4-[5-(4-phenoxyphenoxy)pentoxy]furo[3,2-g]chromen-7-one
CID 11669703
4-(3-oxo-4-phenylbutoxy)furo[3,2-g]chromen-7-one
CID 11588292
(7-oxofuro[3,2-g]chromen-4-yl) N,N-dimethylcarbamate
CID 170648795
[3-hydroxy-2-methyl-4-(7-oxofuro[3,2-g]chromen-4-yl)oxybutan-2-yl] acetate
CID 162940098
[(6S)-2,2,6-trimethyl-5-oxo-6-[2-(7-oxofuro[3,2-g]chromen-4-yl)oxyethyl]pyran-3-yl] acetate
CID 163060127
[3-hydroxy-3-methyl-1-(7-oxofuro[3,2-g]chromen-4-yl)oxybutan-2-yl] 3-methylbut-2-enoate
CID 163077063

Frequently Asked Questions

What is the IUPAC name of 4-propoxyfuro[3,2-g]chromen-7-one?
The IUPAC name of 4-propoxyfuro[3,2-g]chromen-7-one (CID 86101667) is 4-propoxyfuro[3,2-g]chromen-7-one.
What is the SMILES notation for 4-propoxyfuro[3,2-g]chromen-7-one?
The canonical SMILES for 4-propoxyfuro[3,2-g]chromen-7-one is CCCOc1c2ccoc2cc2oc(=O)ccc12.
What is the InChIKey of 4-propoxyfuro[3,2-g]chromen-7-one?
The InChIKey is IISLPJKQGLNWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O4/c1-2-6-17-14-9-3-4-13(15)18-12(9)8-11-10(14)5-7-16-11/h3-5,7-8H,2,6H2,1H3.
What are the key properties of 4-propoxyfuro[3,2-g]chromen-7-one?
4-propoxyfuro[3,2-g]chromen-7-one has a molecular weight of 244.25 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propoxyfuro[3,2-g]chromen-7-one is sourced from PubChem (CID 86101667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).