(7-ethyl-2-oxochromen-4-yl)methyl 2-(3-chlorophenoxy)acetate

C20H17ClO5 — CID 7803829

IUPAC(7-ethyl-2-oxochromen-4-yl)methyl 2-(3-chlorophenoxy)acetate
SMILESCCc1ccc2c(COC(=O)COc3cccc(Cl)c3)cc(=O)oc2c1
InChIInChI=1S/C20H17ClO5/c1-2-13-6-7-17-14(9-19(22)26-18(17)8-13)11-25-20(23)12-24-16-5-3-4-15(21)10-16/h3-10H,2,11-12H2,1H3
InChIKeyGDEVNLSUUBIOGO-UHFFFAOYSA-N
MW372.80 g/mol
LogP4.13
Rot. Bonds6

About (7-ethyl-2-oxochromen-4-yl)methyl 2-(3-chlorophenoxy)acetate

(7-ethyl-2-oxochromen-4-yl)methyl 2-(3-chlorophenoxy)acetate (PubChem CID 7803829) has the molecular formula C20H17ClO5 and a molecular weight of 372.80 g/mol. Its IUPAC name is (7-ethyl-2-oxochromen-4-yl)methyl 2-(3-chlorophenoxy)acetate.

Molecular Properties

Compound Name(7-ethyl-2-oxochromen-4-yl)methyl 2-(3-chlorophenoxy)acetate
PubChem CID7803829
Molecular FormulaC20H17ClO5
Molecular Weight372.80 g/mol
Exact Mass372.08
IUPAC Name(7-ethyl-2-oxochromen-4-yl)methyl 2-(3-chlorophenoxy)acetate
SMILESCCc1ccc2c(COC(=O)COc3cccc(Cl)c3)cc(=O)oc2c1
InChIInChI=1S/C20H17ClO5/c1-2-13-6-7-17-14(9-19(22)26-18(17)8-13)11-25-20(23)12-24-16-5-3-4-15(21)10-16/h3-10H,2,11-12H2,1H3
InChIKeyGDEVNLSUUBIOGO-UHFFFAOYSA-N
XLogP4.13
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.80
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(7-ethyl-2-oxochromen-4-yl)methyl 2-(3,5-dimethylphenoxy)acetate
CID 8911848
(7-ethyl-2-oxochromen-4-yl)methyl 2-(5-chloro-2-methoxyphenyl)acetate
CID 8615722
(7-methyl-2-oxochromen-4-yl)methyl 2-(3-acetylphenoxy)acetate
CID 7902974
(7-ethyl-2-oxochromen-4-yl)methyl 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate
CID 9328528
(7-ethyl-2-oxochromen-4-yl)methyl 3-(4-methylphenoxy)propanoate
CID 9139517
(7-ethyl-2-oxochromen-4-yl)methyl 3-(difluoromethoxy)benzoate
CID 7985274
(7-ethyl-2-oxochromen-4-yl)methyl 3-(4-methoxyphenoxy)propanoate
CID 46789081
(7-ethyl-2-oxochromen-4-yl)methyl (2R)-2-phenoxypropanoate
CID 8791114
4-[(3-chlorophenoxy)methyl]-7-methoxychromen-2-one
CID 7818890
(6,7-dimethyl-2-oxochromen-4-yl)methyl 2-(3-fluorophenoxy)acetate
CID 8914762
(7-methoxy-2-oxochromen-4-yl)methyl 2-(2,4-dichlorophenoxy)acetate
CID 5154223
(7-ethyl-2-oxochromen-4-yl)methyl 3-(2-methoxyphenoxy)propanoate
CID 18228106

Frequently Asked Questions

What is the IUPAC name of (7-ethyl-2-oxochromen-4-yl)methyl 2-(3-chlorophenoxy)acetate?
The IUPAC name of (7-ethyl-2-oxochromen-4-yl)methyl 2-(3-chlorophenoxy)acetate (CID 7803829) is (7-ethyl-2-oxochromen-4-yl)methyl 2-(3-chlorophenoxy)acetate.
What is the SMILES notation for (7-ethyl-2-oxochromen-4-yl)methyl 2-(3-chlorophenoxy)acetate?
The canonical SMILES for (7-ethyl-2-oxochromen-4-yl)methyl 2-(3-chlorophenoxy)acetate is CCc1ccc2c(COC(=O)COc3cccc(Cl)c3)cc(=O)oc2c1.
What is the InChIKey of (7-ethyl-2-oxochromen-4-yl)methyl 2-(3-chlorophenoxy)acetate?
The InChIKey is GDEVNLSUUBIOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClO5/c1-2-13-6-7-17-14(9-19(22)26-18(17)8-13)11-25-20(23)12-24-16-5-3-4-15(21)10-16/h3-10H,2,11-12H2,1H3.
What are the key properties of (7-ethyl-2-oxochromen-4-yl)methyl 2-(3-chlorophenoxy)acetate?
(7-ethyl-2-oxochromen-4-yl)methyl 2-(3-chlorophenoxy)acetate has a molecular weight of 372.80 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-ethyl-2-oxochromen-4-yl)methyl 2-(3-chlorophenoxy)acetate is sourced from PubChem (CID 7803829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).