3-(2-chloroethoxy)chromen-2-one

C11H9ClO3 — CID 141445941

IUPAC3-(2-chloroethoxy)chromen-2-one
SMILESO=c1oc2ccccc2cc1OCCCl
InChIInChI=1S/C11H9ClO3/c12-5-6-14-10-7-8-3-1-2-4-9(8)15-11(10)13/h1-4,7H,5-6H2
InChIKeyBSYTYDIQHQYCRA-UHFFFAOYSA-N
MW224.64 g/mol
LogP2.41
Rot. Bonds3

About 3-(2-chloroethoxy)chromen-2-one

3-(2-chloroethoxy)chromen-2-one (PubChem CID 141445941) has the molecular formula C11H9ClO3 and a molecular weight of 224.64 g/mol. Its IUPAC name is 3-(2-chloroethoxy)chromen-2-one.

Molecular Properties

Compound Name3-(2-chloroethoxy)chromen-2-one
PubChem CID141445941
Molecular FormulaC11H9ClO3
Molecular Weight224.64 g/mol
Exact Mass224.02
IUPAC Name3-(2-chloroethoxy)chromen-2-one
SMILESO=c1oc2ccccc2cc1OCCCl
InChIInChI=1S/C11H9ClO3/c12-5-6-14-10-7-8-3-1-2-4-9(8)15-11(10)13/h1-4,7H,5-6H2
InChIKeyBSYTYDIQHQYCRA-UHFFFAOYSA-N
XLogP2.41
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.64
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[10-(2-oxochromen-3-yl)oxydecoxy]chromen-2-one
CID 146169932
3-(2,2-diiodoethoxy)chromen-2-one
CID 54237497
3-[3-[benzyl(methyl)amino]propoxy]chromen-2-one
CID 71508422
3-[(2-bromophenyl)methoxy]chromen-2-one
CID 11484334
2-[2-(2-oxochromen-3-yl)oxyethyl]tetradecanenitrile
CID 20515414
3-[2-(4-fluorophenyl)-2-oxoethoxy]chromen-2-one
CID 127042745
carbonic acid;(2-oxochromen-3-yl) acetate
CID 87637684
3-(1-bromopropan-2-yloxy)chromen-2-one
CID 141445966
dimethyl 2,6-dimethyl-4-[2-[4-(2-oxochromen-3-yl)oxybutoxy]phenyl]-1,4-dihydropyridine-3,5-dicarboxylate
CID 23438919
3-(trichloromethyl)chromen-2-one
CID 90255631
3-(oxolan-2-yloxy)chromen-2-one
CID 132524996
3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]chromen-2-one
CID 53484007

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroethoxy)chromen-2-one?
The IUPAC name of 3-(2-chloroethoxy)chromen-2-one (CID 141445941) is 3-(2-chloroethoxy)chromen-2-one.
What is the SMILES notation for 3-(2-chloroethoxy)chromen-2-one?
The canonical SMILES for 3-(2-chloroethoxy)chromen-2-one is O=c1oc2ccccc2cc1OCCCl.
What is the InChIKey of 3-(2-chloroethoxy)chromen-2-one?
The InChIKey is BSYTYDIQHQYCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClO3/c12-5-6-14-10-7-8-3-1-2-4-9(8)15-11(10)13/h1-4,7H,5-6H2.
What are the key properties of 3-(2-chloroethoxy)chromen-2-one?
3-(2-chloroethoxy)chromen-2-one has a molecular weight of 224.64 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroethoxy)chromen-2-one is sourced from PubChem (CID 141445941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).