7-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethoxy]chromen-2-one

C15H16O4 — CID 58868616

IUPAC7-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethoxy]chromen-2-one
SMILESCC1(C)O[C@@H]1CCOc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C15H16O4/c1-15(2)13(19-15)7-8-17-11-5-3-10-4-6-14(16)18-12(10)9-11/h3-6,9,13H,7-8H2,1-2H3/t13-/m1/s1
InChIKeyUYKVPGQLQDATRH-CYBMUJFWSA-N
MW260.29 g/mol
LogP2.74
Rot. Bonds4

About 7-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethoxy]chromen-2-one

7-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethoxy]chromen-2-one (PubChem CID 58868616) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is 7-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethoxy]chromen-2-one.

Molecular Properties

Compound Name7-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethoxy]chromen-2-one
PubChem CID58868616
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Name7-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethoxy]chromen-2-one
SMILESCC1(C)O[C@@H]1CCOc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C15H16O4/c1-15(2)13(19-15)7-8-17-11-5-3-10-4-6-14(16)18-12(10)9-11/h3-6,9,13H,7-8H2,1-2H3/t13-/m1/s1
InChIKeyUYKVPGQLQDATRH-CYBMUJFWSA-N
XLogP2.74
TPSA51.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

7-[5-(3,3-dimethyloxiran-2-yl)-3-methylpentoxy]chromen-2-one
CID 85108316
7-[2-(3,4-dimethylphenoxy)ethoxy]chromen-2-one
CID 2384022
7-[2-(4-propoxyphenoxy)ethoxy]chromen-2-one
CID 112775413
7-(2-aminoethoxy)chromen-2-one
CID 82506816
7-[2-(4-fluorophenoxy)ethoxy]chromen-2-one
CID 7233626
7-(8-hydroxyoctoxy)chromen-2-one
CID 11300756
7-[(4-methoxyphenyl)methoxy]chromen-2-one
CID 2906140
7-(6-hydroxyhexoxy)chromen-2-one
CID 11369034
7-[2-[(4R)-2-ethenyl-4-methylcyclopentyl]ethoxy]chromen-2-one
CID 90155511
6-(2-oxochromen-7-yl)oxyhexanal
CID 11414285
7-(3-hydroxyhexoxy)chromen-2-one
CID 102005167
7-(2-methylprop-2-enoxy)chromen-2-one
CID 875202

Frequently Asked Questions

What is the IUPAC name of 7-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethoxy]chromen-2-one?
The IUPAC name of 7-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethoxy]chromen-2-one (CID 58868616) is 7-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethoxy]chromen-2-one.
What is the SMILES notation for 7-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethoxy]chromen-2-one?
The canonical SMILES for 7-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethoxy]chromen-2-one is CC1(C)O[C@@H]1CCOc1ccc2ccc(=O)oc2c1.
What is the InChIKey of 7-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethoxy]chromen-2-one?
The InChIKey is UYKVPGQLQDATRH-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H16O4/c1-15(2)13(19-15)7-8-17-11-5-3-10-4-6-14(16)18-12(10)9-11/h3-6,9,13H,7-8H2,1-2H3/t13-/m1/s1.
What are the key properties of 7-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethoxy]chromen-2-one?
7-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethoxy]chromen-2-one has a molecular weight of 260.29 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[(2R)-3,3-dimethyloxiran-2-yl]ethoxy]chromen-2-one is sourced from PubChem (CID 58868616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).