(2-oxochromen-7-yl) 2-(2-chlorophenoxy)acetate

C17H11ClO5 — CID 8921423

IUPAC(2-oxochromen-7-yl) 2-(2-chlorophenoxy)acetate
SMILESO=C(COc1ccccc1Cl)Oc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C17H11ClO5/c18-13-3-1-2-4-14(13)21-10-17(20)22-12-7-5-11-6-8-16(19)23-15(11)9-12/h1-9H,10H2
InChIKeyTVTYTDPFCGOXGQ-UHFFFAOYSA-N
MW330.72 g/mol
LogP3.43
Rot. Bonds4

About (2-oxochromen-7-yl) 2-(2-chlorophenoxy)acetate

(2-oxochromen-7-yl) 2-(2-chlorophenoxy)acetate (PubChem CID 8921423) has the molecular formula C17H11ClO5 and a molecular weight of 330.72 g/mol. Its IUPAC name is (2-oxochromen-7-yl) 2-(2-chlorophenoxy)acetate.

Molecular Properties

Compound Name(2-oxochromen-7-yl) 2-(2-chlorophenoxy)acetate
PubChem CID8921423
Molecular FormulaC17H11ClO5
Molecular Weight330.72 g/mol
Exact Mass330.03
IUPAC Name(2-oxochromen-7-yl) 2-(2-chlorophenoxy)acetate
SMILESO=C(COc1ccccc1Cl)Oc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C17H11ClO5/c18-13-3-1-2-4-14(13)21-10-17(20)22-12-7-5-11-6-8-16(19)23-15(11)9-12/h1-9H,10H2
InChIKeyTVTYTDPFCGOXGQ-UHFFFAOYSA-N
XLogP3.43
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.72
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2-oxochromen-7-yl) 2-(2-methylphenoxy)acetate
CID 7920974
(2-oxochromen-7-yl) 2-(2-bromo-4-chlorophenoxy)acetate
CID 7920899
(4-methyl-2-oxochromen-7-yl) 2-(2-chlorophenoxy)acetate
CID 3293400
(2-oxochromen-7-yl) 2-chlorobenzoate
CID 964640
1,3-benzodioxol-5-yl 2-(2-chlorophenoxy)acetate
CID 8766455
naphthalen-2-yl 2-(2-chloro-4-fluorophenoxy)acetate
CID 18204972
(2-oxochromen-7-yl) butanoate
CID 781717
(2-oxochromen-7-yl) (3R)-3-phenylbutanoate
CID 7920875
(3-carbamoyl-2-oxochromen-7-yl) 2-(2-ethoxyphenoxy)acetate
CID 19186836
(4-ethyl-2-oxochromen-7-yl) 2-(2,4-dichlorophenoxy)acetate
CID 7925899
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 7565223
N-(2,3-dichlorophenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 2705129

Frequently Asked Questions

What is the IUPAC name of (2-oxochromen-7-yl) 2-(2-chlorophenoxy)acetate?
The IUPAC name of (2-oxochromen-7-yl) 2-(2-chlorophenoxy)acetate (CID 8921423) is (2-oxochromen-7-yl) 2-(2-chlorophenoxy)acetate.
What is the SMILES notation for (2-oxochromen-7-yl) 2-(2-chlorophenoxy)acetate?
The canonical SMILES for (2-oxochromen-7-yl) 2-(2-chlorophenoxy)acetate is O=C(COc1ccccc1Cl)Oc1ccc2ccc(=O)oc2c1.
What is the InChIKey of (2-oxochromen-7-yl) 2-(2-chlorophenoxy)acetate?
The InChIKey is TVTYTDPFCGOXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClO5/c18-13-3-1-2-4-14(13)21-10-17(20)22-12-7-5-11-6-8-16(19)23-15(11)9-12/h1-9H,10H2.
What are the key properties of (2-oxochromen-7-yl) 2-(2-chlorophenoxy)acetate?
(2-oxochromen-7-yl) 2-(2-chlorophenoxy)acetate has a molecular weight of 330.72 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxochromen-7-yl) 2-(2-chlorophenoxy)acetate is sourced from PubChem (CID 8921423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).