2-methoxyethyl 2-(6-chloro-4-oxo-2-phenylchromen-3-yl)oxyacetate

C20H17ClO6 — CID 7746637

IUPAC2-methoxyethyl 2-(6-chloro-4-oxo-2-phenylchromen-3-yl)oxyacetate
SMILESCOCCOC(=O)COc1c(-c2ccccc2)oc2ccc(Cl)cc2c1=O
InChIInChI=1S/C20H17ClO6/c1-24-9-10-25-17(22)12-26-20-18(23)15-11-14(21)7-8-16(15)27-19(20)13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3
InChIKeyUCQJWAOIKLZQFS-UHFFFAOYSA-N
MW388.80 g/mol
LogP3.68
Rot. Bonds7

About 2-methoxyethyl 2-(6-chloro-4-oxo-2-phenylchromen-3-yl)oxyacetate

2-methoxyethyl 2-(6-chloro-4-oxo-2-phenylchromen-3-yl)oxyacetate (PubChem CID 7746637) has the molecular formula C20H17ClO6 and a molecular weight of 388.80 g/mol. Its IUPAC name is 2-methoxyethyl 2-(6-chloro-4-oxo-2-phenylchromen-3-yl)oxyacetate.

Molecular Properties

Compound Name2-methoxyethyl 2-(6-chloro-4-oxo-2-phenylchromen-3-yl)oxyacetate
PubChem CID7746637
Molecular FormulaC20H17ClO6
Molecular Weight388.80 g/mol
Exact Mass388.07
IUPAC Name2-methoxyethyl 2-(6-chloro-4-oxo-2-phenylchromen-3-yl)oxyacetate
SMILESCOCCOC(=O)COc1c(-c2ccccc2)oc2ccc(Cl)cc2c1=O
InChIInChI=1S/C20H17ClO6/c1-24-9-10-25-17(22)12-26-20-18(23)15-11-14(21)7-8-16(15)27-19(20)13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3
InChIKeyUCQJWAOIKLZQFS-UHFFFAOYSA-N
XLogP3.68
TPSA74.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.80
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-3-[3-(4-methylphenoxy)propoxy]-2-phenylchromen-4-one
CID 7746607
methyl (E)-4-(6-chloro-4-oxo-2-phenylchromen-3-yl)oxybut-2-enoate
CID 101197009
(6-chloro-4-oxo-2-phenylchromen-3-yl) ethyl carbonate
CID 7746589
2-(6-chloro-4-oxo-2-phenylchromen-3-yl)oxy-N-(2-fluorophenyl)acetamide
CID 21000237
6-chloro-3-[(2,4-dichlorophenyl)methoxy]-2-phenylchromen-4-one
CID 21000206
5-[(6-chloro-4-oxo-2-phenylchromen-3-yl)oxymethyl]-N-hydroxythiophene-2-carboxamide
CID 175508448
6-chloro-2-phenyl-3-propan-2-yloxychromen-4-one
CID 7746601
3-[(6-chloro-4-oxo-2-phenylchromen-3-yl)oxymethyl]benzoate
CID 7746624
2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-(2-fluorophenyl)acetamide
CID 21000460
2-(4-oxo-2-phenylchromen-3-yl)oxyacetamide
CID 735033
2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-(4-methoxyphenyl)acetamide
CID 21000470
2-(4-oxo-2-phenylchromen-3-yl)oxyacetic acid
CID 735034

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 2-(6-chloro-4-oxo-2-phenylchromen-3-yl)oxyacetate?
The IUPAC name of 2-methoxyethyl 2-(6-chloro-4-oxo-2-phenylchromen-3-yl)oxyacetate (CID 7746637) is 2-methoxyethyl 2-(6-chloro-4-oxo-2-phenylchromen-3-yl)oxyacetate.
What is the SMILES notation for 2-methoxyethyl 2-(6-chloro-4-oxo-2-phenylchromen-3-yl)oxyacetate?
The canonical SMILES for 2-methoxyethyl 2-(6-chloro-4-oxo-2-phenylchromen-3-yl)oxyacetate is COCCOC(=O)COc1c(-c2ccccc2)oc2ccc(Cl)cc2c1=O.
What is the InChIKey of 2-methoxyethyl 2-(6-chloro-4-oxo-2-phenylchromen-3-yl)oxyacetate?
The InChIKey is UCQJWAOIKLZQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClO6/c1-24-9-10-25-17(22)12-26-20-18(23)15-11-14(21)7-8-16(15)27-19(20)13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3.
What are the key properties of 2-methoxyethyl 2-(6-chloro-4-oxo-2-phenylchromen-3-yl)oxyacetate?
2-methoxyethyl 2-(6-chloro-4-oxo-2-phenylchromen-3-yl)oxyacetate has a molecular weight of 388.80 g/mol, XLogP of 3.68, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 2-(6-chloro-4-oxo-2-phenylchromen-3-yl)oxyacetate is sourced from PubChem (CID 7746637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).