(7-oxofuro[3,2-g]chromen-4-yl) prop-2-enoate

C14H8O5 — CID 170648815

IUPAC(7-oxofuro[3,2-g]chromen-4-yl) prop-2-enoate
SMILESC=CC(=O)Oc1c2ccoc2cc2oc(=O)ccc12
InChIInChI=1S/C14H8O5/c1-2-12(15)19-14-8-3-4-13(16)18-11(8)7-10-9(14)5-6-17-10/h2-7H,1H2
InChIKeyHTZAMGPNURSLCU-UHFFFAOYSA-N
MW256.21 g/mol
LogP2.63
Rot. Bonds2

About (7-oxofuro[3,2-g]chromen-4-yl) prop-2-enoate

(7-oxofuro[3,2-g]chromen-4-yl) prop-2-enoate (PubChem CID 170648815) has the molecular formula C14H8O5 and a molecular weight of 256.21 g/mol. Its IUPAC name is (7-oxofuro[3,2-g]chromen-4-yl) prop-2-enoate.

Molecular Properties

Compound Name(7-oxofuro[3,2-g]chromen-4-yl) prop-2-enoate
PubChem CID170648815
Molecular FormulaC14H8O5
Molecular Weight256.21 g/mol
Exact Mass256.04
IUPAC Name(7-oxofuro[3,2-g]chromen-4-yl) prop-2-enoate
SMILESC=CC(=O)Oc1c2ccoc2cc2oc(=O)ccc12
InChIInChI=1S/C14H8O5/c1-2-12(15)19-14-8-3-4-13(16)18-11(8)7-10-9(14)5-6-17-10/h2-7H,1H2
InChIKeyHTZAMGPNURSLCU-UHFFFAOYSA-N
XLogP2.63
TPSA69.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.21
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(7-oxofuro[3,2-g]chromen-4-yl) acetate
CID 802311
(7-oxofuro[3,2-g]chromen-4-yl) N,N-dimethylcarbamate
CID 170648795
4-propoxyfuro[3,2-g]chromen-7-one
CID 86101667
4-[(Z)-but-2-enoxy]furo[3,2-g]chromen-7-one
CID 142092085
[3-hydroxy-3-methyl-1-(7-oxofuro[3,2-g]chromen-4-yl)oxybutan-2-yl] 3-methylbut-2-enoate
CID 163077063
4-(3-oxo-4-phenylbutoxy)furo[3,2-g]chromen-7-one
CID 11588292
4-pent-4-ynoxyfuro[3,2-g]chromen-7-one
CID 11659029
[3-hydroxy-2-methyl-4-(7-oxofuro[3,2-g]chromen-4-yl)oxybutan-2-yl] acetate
CID 162940098
4-(3,5,7-trimethylocta-2,6-dienoxy)furo[3,2-g]chromen-7-one
CID 162824889
4-[(2E,5S)-3,5,7-trimethylocta-2,6-dienoxy]furo[3,2-g]chromen-7-one
CID 162824890
diethyl-[2-(7-oxofuro[3,2-g]chromen-4-yl)oxyethyl]azanium chloride
CID 5458787
4-[3-(4-fluorophenoxy)propoxy]furo[3,2-g]chromen-7-one
CID 11717338

Frequently Asked Questions

What is the IUPAC name of (7-oxofuro[3,2-g]chromen-4-yl) prop-2-enoate?
The IUPAC name of (7-oxofuro[3,2-g]chromen-4-yl) prop-2-enoate (CID 170648815) is (7-oxofuro[3,2-g]chromen-4-yl) prop-2-enoate.
What is the SMILES notation for (7-oxofuro[3,2-g]chromen-4-yl) prop-2-enoate?
The canonical SMILES for (7-oxofuro[3,2-g]chromen-4-yl) prop-2-enoate is C=CC(=O)Oc1c2ccoc2cc2oc(=O)ccc12.
What is the InChIKey of (7-oxofuro[3,2-g]chromen-4-yl) prop-2-enoate?
The InChIKey is HTZAMGPNURSLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8O5/c1-2-12(15)19-14-8-3-4-13(16)18-11(8)7-10-9(14)5-6-17-10/h2-7H,1H2.
What are the key properties of (7-oxofuro[3,2-g]chromen-4-yl) prop-2-enoate?
(7-oxofuro[3,2-g]chromen-4-yl) prop-2-enoate has a molecular weight of 256.21 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-oxofuro[3,2-g]chromen-4-yl) prop-2-enoate is sourced from PubChem (CID 170648815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).