7-(2-methylprop-2-enoxy)chromen-2-one

C13H12O3 — CID 875202

IUPAC7-(2-methylprop-2-enoxy)chromen-2-one
SMILESC=C(C)COc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C13H12O3/c1-9(2)8-15-11-5-3-10-4-6-13(14)16-12(10)7-11/h3-7H,1,8H2,2H3
InChIKeyNYYIJXQZJGQQOP-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.75
Rot. Bonds3

About 7-(2-methylprop-2-enoxy)chromen-2-one

7-(2-methylprop-2-enoxy)chromen-2-one (PubChem CID 875202) has the molecular formula C13H12O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is 7-(2-methylprop-2-enoxy)chromen-2-one.

Molecular Properties

Compound Name7-(2-methylprop-2-enoxy)chromen-2-one
PubChem CID875202
Molecular FormulaC13H12O3
Molecular Weight216.24 g/mol
Exact Mass216.08
IUPAC Name7-(2-methylprop-2-enoxy)chromen-2-one
SMILESC=C(C)COc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C13H12O3/c1-9(2)8-15-11-5-3-10-4-6-13(14)16-12(10)7-11/h3-7H,1,8H2,2H3
InChIKeyNYYIJXQZJGQQOP-UHFFFAOYSA-N
XLogP2.75
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-oxochromen-7-yl)oxymethyl]prop-2-enoyl chloride
CID 167142962
dimethylazanium;2-(2-oxochromen-7-yl)oxyacetate
CID 139081078
ethyl 2-(2-oxochromen-7-yl)oxyacetate;hydrochloride
CID 88715232
6-(2-oxopropoxy)chromen-2-one
CID 58420964
7-[2-(3,4-dimethylphenoxy)ethoxy]chromen-2-one
CID 2384022
7-[2-(4-propoxyphenoxy)ethoxy]chromen-2-one
CID 112775413
2-methyl-4-(2-oxochromen-7-yl)oxybut-2-enoic acid
CID 162948387
7-(2-naphthalen-2-yl-2-oxoethoxy)chromen-2-one
CID 2292760
7-[2-oxo-2-(4-propan-2-ylphenyl)ethoxy]chromen-2-one
CID 7565097
N-[(2S)-butan-2-yl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 2705066
7-(2-methylprop-2-enoxy)-4-phenylchromen-2-one
CID 701624
7-(2-aminoethoxy)chromen-2-one
CID 82506816

Frequently Asked Questions

What is the IUPAC name of 7-(2-methylprop-2-enoxy)chromen-2-one?
The IUPAC name of 7-(2-methylprop-2-enoxy)chromen-2-one (CID 875202) is 7-(2-methylprop-2-enoxy)chromen-2-one.
What is the SMILES notation for 7-(2-methylprop-2-enoxy)chromen-2-one?
The canonical SMILES for 7-(2-methylprop-2-enoxy)chromen-2-one is C=C(C)COc1ccc2ccc(=O)oc2c1.
What is the InChIKey of 7-(2-methylprop-2-enoxy)chromen-2-one?
The InChIKey is NYYIJXQZJGQQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3/c1-9(2)8-15-11-5-3-10-4-6-13(14)16-12(10)7-11/h3-7H,1,8H2,2H3.
What are the key properties of 7-(2-methylprop-2-enoxy)chromen-2-one?
7-(2-methylprop-2-enoxy)chromen-2-one has a molecular weight of 216.24 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylprop-2-enoxy)chromen-2-one is sourced from PubChem (CID 875202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).