9-prop-2-enoxyfuro[3,2-g]chromen-7-one

C14H10O4 — CID 12772891

IUPAC9-prop-2-enoxyfuro[3,2-g]chromen-7-one
SMILESC=CCOc1c2occc2cc2ccc(=O)oc12
InChIInChI=1S/C14H10O4/c1-2-6-16-14-12-10(5-7-17-12)8-9-3-4-11(15)18-13(9)14/h2-5,7-8H,1,6H2
InChIKeyNSKDBUBAOLSDRF-UHFFFAOYSA-N
MW242.23 g/mol
LogP3.10
Rot. Bonds3

About 9-prop-2-enoxyfuro[3,2-g]chromen-7-one

9-prop-2-enoxyfuro[3,2-g]chromen-7-one (PubChem CID 12772891) has the molecular formula C14H10O4 and a molecular weight of 242.23 g/mol. Its IUPAC name is 9-prop-2-enoxyfuro[3,2-g]chromen-7-one.

Molecular Properties

Compound Name9-prop-2-enoxyfuro[3,2-g]chromen-7-one
PubChem CID12772891
Molecular FormulaC14H10O4
Molecular Weight242.23 g/mol
Exact Mass242.06
IUPAC Name9-prop-2-enoxyfuro[3,2-g]chromen-7-one
SMILESC=CCOc1c2occc2cc2ccc(=O)oc12
InChIInChI=1S/C14H10O4/c1-2-6-16-14-12-10(5-7-17-12)8-9-3-4-11(15)18-13(9)14/h2-5,7-8H,1,6H2
InChIKeyNSKDBUBAOLSDRF-UHFFFAOYSA-N
XLogP3.10
TPSA52.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 53.10
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

9-(3-methylbut-3-enoxy)furo[3,2-g]chromen-7-one
CID 88593145
9-(2-methylbut-3-en-2-yloxy)furo[3,2-g]chromen-7-one
CID 71331273
9-[[(2S)-2,3,3-trimethyloxiran-2-yl]methoxy]furo[3,2-g]chromen-7-one
CID 163032270
9-[(2R)-3-chloro-2-hydroxy-3-methylbutoxy]furo[3,2-g]chromen-7-one
CID 91885198
9-[(2,5,5-trimethylcyclohexen-1-yl)methoxy]furo[3,2-g]chromen-7-one
CID 657158
9-[(2S)-3,3-dimethyloxiran-2-yl]oxyfuro[3,2-g]chromen-7-one
CID 162888730
9-(hydroxymethyl)furo[3,2-g]chromen-7-one
CID 20823678
9-[(2R)-2-hydroxy-3-[(2R)-3-hydroxy-3-methyl-1-(7-oxofuro[3,2-g]chromen-9-yl)oxybutan-2-yl]oxy-3-methylbutoxy]furo[3,2-g]chromen-7-one
CID 10674926
9-[(2R)-2-hydroxy-3-[(2R)-3-[(2R)-3-hydroxy-3-methyl-1-(7-oxofuro[3,2-g]chromen-9-yl)oxybutan-2-yl]oxy-3-methyl-1-(7-oxofuro[3,2-g]chromen-9-yl)oxybutan-2-yl]oxy-3-methylbutoxy]furo[3,2-g]chromen-7-one
CID 102412646
[1]benzofuro[7,6-h]chromen-8-one
CID 57357836
4,9-dihydroxyfuro[3,2-g]chromen-7-one;furo[3,2-g]chromen-7-one;4-hydroxyfuro[3,2-g]chromen-7-one;9-hydroxyfuro[3,2-g]chromen-7-one;4-methoxyfuro[3,2-g]chromen-7-one;9-methoxyfuro[3,2-g]chromen-7-one;9-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one
CID 161472291
9-methoxyfuro[3,2-g]chromen-7-one;2-phenylethylhydrazine
CID 87812173

Frequently Asked Questions

What is the IUPAC name of 9-prop-2-enoxyfuro[3,2-g]chromen-7-one?
The IUPAC name of 9-prop-2-enoxyfuro[3,2-g]chromen-7-one (CID 12772891) is 9-prop-2-enoxyfuro[3,2-g]chromen-7-one.
What is the SMILES notation for 9-prop-2-enoxyfuro[3,2-g]chromen-7-one?
The canonical SMILES for 9-prop-2-enoxyfuro[3,2-g]chromen-7-one is C=CCOc1c2occc2cc2ccc(=O)oc12.
What is the InChIKey of 9-prop-2-enoxyfuro[3,2-g]chromen-7-one?
The InChIKey is NSKDBUBAOLSDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O4/c1-2-6-16-14-12-10(5-7-17-12)8-9-3-4-11(15)18-13(9)14/h2-5,7-8H,1,6H2.
What are the key properties of 9-prop-2-enoxyfuro[3,2-g]chromen-7-one?
9-prop-2-enoxyfuro[3,2-g]chromen-7-one has a molecular weight of 242.23 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-prop-2-enoxyfuro[3,2-g]chromen-7-one is sourced from PubChem (CID 12772891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).