7-(2-hydroxyethyl)chromen-2-one

C11H10O3 — CID 59776471

IUPAC7-(2-hydroxyethyl)chromen-2-one
SMILESO=c1ccc2ccc(CCO)cc2o1
InChIInChI=1S/C11H10O3/c12-6-5-8-1-2-9-3-4-11(13)14-10(9)7-8/h1-4,7,12H,5-6H2
InChIKeyNCDIXILLTKHIQW-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.33
Rot. Bonds2

About 7-(2-hydroxyethyl)chromen-2-one

7-(2-hydroxyethyl)chromen-2-one (PubChem CID 59776471) has the molecular formula C11H10O3 and a molecular weight of 190.20 g/mol. Its IUPAC name is 7-(2-hydroxyethyl)chromen-2-one.

Molecular Properties

Compound Name7-(2-hydroxyethyl)chromen-2-one
PubChem CID59776471
Molecular FormulaC11H10O3
Molecular Weight190.20 g/mol
Exact Mass190.06
IUPAC Name7-(2-hydroxyethyl)chromen-2-one
SMILESO=c1ccc2ccc(CCO)cc2o1
InChIInChI=1S/C11H10O3/c12-6-5-8-1-2-9-3-4-11(13)14-10(9)7-8/h1-4,7,12H,5-6H2
InChIKeyNCDIXILLTKHIQW-UHFFFAOYSA-N
XLogP1.33
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-oxochromen-7-yl)acetonitrile
CID 119085058
7-(2-hydroxyethyl)-4-methylchromen-2-one
CID 59776497
5-(2-oxochromen-7-yl)pentyl selenocyanate
CID 102102124
7-(bromomethyl)chromen-2-one;7-methylchromen-2-one
CID 160730215
7-[2-hydroxyethyl(methyl)amino]chromen-2-one
CID 87789363
7-(8-hydroxyoctoxy)chromen-2-one
CID 11300756
7-(6-hydroxyhexoxy)chromen-2-one
CID 11369034
6,7-dihydroxychromen-2-one
CID 5281416
7-[(4-butan-2-ylphenyl)methyl]chromen-2-one
CID 54134481
chromen-2-one;copper
CID 175033656
7-sulfanylchromen-2-one;hydrobromide
CID 173228168
chromen-2-one;1,4-dioxine
CID 175414540

Frequently Asked Questions

What is the IUPAC name of 7-(2-hydroxyethyl)chromen-2-one?
The IUPAC name of 7-(2-hydroxyethyl)chromen-2-one (CID 59776471) is 7-(2-hydroxyethyl)chromen-2-one.
What is the SMILES notation for 7-(2-hydroxyethyl)chromen-2-one?
The canonical SMILES for 7-(2-hydroxyethyl)chromen-2-one is O=c1ccc2ccc(CCO)cc2o1.
What is the InChIKey of 7-(2-hydroxyethyl)chromen-2-one?
The InChIKey is NCDIXILLTKHIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3/c12-6-5-8-1-2-9-3-4-11(13)14-10(9)7-8/h1-4,7,12H,5-6H2.
What are the key properties of 7-(2-hydroxyethyl)chromen-2-one?
7-(2-hydroxyethyl)chromen-2-one has a molecular weight of 190.20 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-hydroxyethyl)chromen-2-one is sourced from PubChem (CID 59776471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).