4-[(Z)-but-2-enoxy]furo[3,2-g]chromen-7-one

C15H12O4 — CID 142092085

IUPAC4-[(Z)-but-2-enoxy]furo[3,2-g]chromen-7-one
SMILESC/C=C\COc1c2ccoc2cc2oc(=O)ccc12
InChIInChI=1S/C15H12O4/c1-2-3-7-18-15-10-4-5-14(16)19-13(10)9-12-11(15)6-8-17-12/h2-6,8-9H,7H2,1H3/b3-2-
InChIKeyPEWIGXDGVVDPSV-IHWYPQMZSA-N
MW256.26 g/mol
LogP3.49
Rot. Bonds3

About 4-[(Z)-but-2-enoxy]furo[3,2-g]chromen-7-one

4-[(Z)-but-2-enoxy]furo[3,2-g]chromen-7-one (PubChem CID 142092085) has the molecular formula C15H12O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is 4-[(Z)-but-2-enoxy]furo[3,2-g]chromen-7-one.

Molecular Properties

Compound Name4-[(Z)-but-2-enoxy]furo[3,2-g]chromen-7-one
PubChem CID142092085
Molecular FormulaC15H12O4
Molecular Weight256.26 g/mol
Exact Mass256.07
IUPAC Name4-[(Z)-but-2-enoxy]furo[3,2-g]chromen-7-one
SMILESC/C=C\COc1c2ccoc2cc2oc(=O)ccc12
InChIInChI=1S/C15H12O4/c1-2-3-7-18-15-10-4-5-14(16)19-13(10)9-12-11(15)6-8-17-12/h2-6,8-9H,7H2,1H3/b3-2-
InChIKeyPEWIGXDGVVDPSV-IHWYPQMZSA-N
XLogP3.49
TPSA52.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-propoxyfuro[3,2-g]chromen-7-one
CID 86101667
4-[(2E,5S)-3,5,7-trimethylocta-2,6-dienoxy]furo[3,2-g]chromen-7-one
CID 162824890
4-(3,5,7-trimethylocta-2,6-dienoxy)furo[3,2-g]chromen-7-one
CID 162824889
4-[(E,6R)-6-hydroxy-7-methoxy-3,7-dimethyloct-2-enoxy]furo[3,2-g]chromen-7-one
CID 53316972
4-(6-hydroxy-7-methoxy-3,7-dimethyloct-2-enoxy)furo[3,2-g]chromen-7-one
CID 73045698
diethyl-[2-(7-oxofuro[3,2-g]chromen-4-yl)oxyethyl]azanium chloride
CID 5458787
(7-oxofuro[3,2-g]chromen-4-yl) acetate
CID 802311
4-pent-4-ynoxyfuro[3,2-g]chromen-7-one
CID 11659029
[(6E)-2,6-dimethyl-8-(7-oxofuro[3,2-g]chromen-4-yl)oxyocta-2,6-dien-4-yl] acetate
CID 45479858
4-[(2E,5S)-5-ethoxy-3,7-dimethylocta-2,6-dienoxy]furo[3,2-g]chromen-7-one
CID 162906112
4-[3-(4-fluorophenoxy)propoxy]furo[3,2-g]chromen-7-one
CID 11717338
(7-oxofuro[3,2-g]chromen-4-yl) N,N-dimethylcarbamate
CID 170648795

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-but-2-enoxy]furo[3,2-g]chromen-7-one?
The IUPAC name of 4-[(Z)-but-2-enoxy]furo[3,2-g]chromen-7-one (CID 142092085) is 4-[(Z)-but-2-enoxy]furo[3,2-g]chromen-7-one.
What is the SMILES notation for 4-[(Z)-but-2-enoxy]furo[3,2-g]chromen-7-one?
The canonical SMILES for 4-[(Z)-but-2-enoxy]furo[3,2-g]chromen-7-one is C/C=C\COc1c2ccoc2cc2oc(=O)ccc12.
What is the InChIKey of 4-[(Z)-but-2-enoxy]furo[3,2-g]chromen-7-one?
The InChIKey is PEWIGXDGVVDPSV-IHWYPQMZSA-N. The full InChI is InChI=1S/C15H12O4/c1-2-3-7-18-15-10-4-5-14(16)19-13(10)9-12-11(15)6-8-17-12/h2-6,8-9H,7H2,1H3/b3-2-.
What are the key properties of 4-[(Z)-but-2-enoxy]furo[3,2-g]chromen-7-one?
4-[(Z)-but-2-enoxy]furo[3,2-g]chromen-7-one has a molecular weight of 256.26 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-but-2-enoxy]furo[3,2-g]chromen-7-one is sourced from PubChem (CID 142092085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).